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Details

Stereochemistry ACHIRAL
Molecular Formula C5H12N2
Molecular Weight 100.1622
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXAHYDRO-1,4-DIAZEPINE

SMILES

C1CNCCNC1

InChI

InChIKey=FQUYSHZXSKYCSY-UHFFFAOYSA-N
InChI=1S/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H2

HIDE SMILES / InChI

Molecular Formula C5H12N2
Molecular Weight 100.1622
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
A series of Cu(II)-azide polymers of Cu6 building units and the role of chelating diamine in controlling their dimensionality: synthesis, structures, and magnetic behavior.
2010-11-15
Bis(homopiperazine-1,4-diium) cyclo-tetra-phosphate-telluric acid (1/2).
2010-10-02
Synthesis of 2-(4-substituted benzyl-1,4-diazepan-1-yl)-N-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-7-yl)acetamides and their positive inotropic evaluation.
2010-08-01
Synthesis of a histamine H(3) receptor antagonist-manipulation of hydroxyproline stereochemistry, desymmetrization of homopiperazine, and nonextractive sodium triacetoxyborohydride reaction workup.
2010-07-02
Synthesis and biological evaluation of 1,4-diazepane derivatives as T-type calcium channel blockers.
2010-05-01
Design and synthesis of conformationally constrained N,N-disubstituted 1,4-diazepanes as potent orexin receptor antagonists.
2010-04-01
Tertiary skipped diynes: a pluripotent building block for the modular and diversity-oriented synthesis of nitrogen heterocycles.
2010-03-15
A series of peroxomanganese(III) complexes supported by tetradentate aminopyridyl ligands: detailed spectroscopic and computational studies.
2010-03-03
Dramatic increase of selectivity for heavy lanthanide(III) cations by tuning the flexibility of polydentate chelators.
2010-01-18
Synthesis and evaluation of (S,S)-N,N'-bis-[3-(2,2',6,6'-tetramethylbenzhydryloxy)-2-hydroxy-propyl]-ethylenediamine (S2824) analogs with anti-tuberculosis activity.
2009-11-01
Expedite protocol for construction of chiral regioselectively N-protected monosubstituted piperazine, 1,4-diazepane, and 1,4-diazocane building blocks.
2009-08-07
Synthesis of dimeric quinazolin-2-one, 1,4-benzodiazepin-2-one, and isoalloxazine compounds as inhibitors of amyloid peptides association.
2009-08
Discovery of a potent, CNS-penetrant orexin receptor antagonist based on an n,n-disubstituted-1,4-diazepane scaffold that promotes sleep in rats.
2009-07
Synthesis and evaluation of piperazine and homopiperazine analogues of JS-K, an anti-cancer lead compound.
2009-05-15
User-friendly stereoselective one-pot access to 1,4-diazepane derivatives by a cyclodehydrative three-component reaction with 1,3-dicarbonyls.
2009-05-07
1,4-Diazepanes derived from (S)-serine--homopiperazines with improved sigma(1) (sigma) receptor affinity and selectivity.
2009-02
Synthesis and biological evaluation of homopiperazine derivatives with beta-aminoacyl group as dipeptidyl peptidase IV inhibitors.
2008-12-15
Synthesis, mechanistic studies, and anti-proliferative activity of glutathione/glutathione S-transferase-activated nitric oxide prodrugs.
2008-11-15
Novel C-5 aminomethyl pyrrolotriazine dual inhibitors of EGFR and HER2 protein tyrosine kinases.
2007-05-15
N, N -disubstituted piperazines and homopiperazines: synthesis and affinities at alpha4beta2* and alpha7* neuronal nicotinic acetylcholine receptors.
2006-12
Identification of new diamine scaffolds with activity against Mycobacterium tuberculosis.
2006-06-01
Docking of 6-chloropyridazin-3-yl derivatives active on nicotinic acetylcholine receptors into molluscan acetylcholine binding protein (AChBP).
2005-04
[High throughput screening of pharmacokinetics and metabolism in drug discovery (II)--investigation on in vitro and in vivo correlation in drug metabolism screening].
2005-01
Small molecule inhibitors of the CCR2b receptor. Part 1: Discovery and optimization of homopiperazine derivatives.
2004-11-01
Orally active factor Xa inhibitor: synthesis and biological activity of masked amidines as prodrugs of novel 1,4-diazepane derivatives.
2004-10-15
Synthesis and biological activity of novel 1,4-diazepane derivatives as factor Xa inhibitor with potent anticoagulant and antithrombotic activity.
2004-05-01
Exploration of composition space in templated uranium sulfates.
2003-11-03
A new class of spermidine-derived alkaloids.
2003-08-07
Trypanocidal activity of conformationally restricted pentamidine congeners.
2003-03-13
Potent and selective inhibitors of PDGF receptor phosphorylation. 2. Synthesis, structure activity relationship, improvement of aqueous solubility, and biological effects of 4-[4-(N-substituted (thio)carbamoyl)-1-piperazinyl]-6,7-dimethoxyquinazoline derivatives.
2002-09-26
6-Chloropyridazin-3-yl derivatives active as nicotinic agents: synthesis, binding, and modeling studies.
2002-08-29
New mu-opioid receptor agonists with piperazine moiety.
2001-10
Subtle bite-angle influences on N(2)S(2)Ni complexes.
2001-07-02
Steric control of stereoselective interactions between the platinum(II) complex [PtCl2(1,4-diazacycloheptane)] and DNA: comparison with cis-[PtCl2(NH3)2] and [PtCl2(ethane-1,2-diamine)] using DNA binding and molecular modeling studies.
2001-06
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:58:24 GMT 2025
Edited
by admin
on Mon Mar 31 19:58:24 GMT 2025
Record UNII
95CL167W8T
Record Status Validated (UNII)
Record Version
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Name Type Language
HEXAHYDRO-1,4-DIAZEPINE
Systematic Name English
TRIMETHYLENEETHYLENEDIAMINE
Preferred Name English
1,4-DIAZACYCLOHEPTANE
Systematic Name English
PERHYDRO-1,4-DIAZEPINE
Systematic Name English
HOMOPIPERAZINE
Systematic Name English
1H-1,4-DIAZEPINE, HEXAHYDRO-
Systematic Name English
HEXAHYDRO-1H-1,4-DIAZEPINE
Systematic Name English
Code System Code Type Description
PUBCHEM
68163
Created by admin on Mon Mar 31 19:58:24 GMT 2025 , Edited by admin on Mon Mar 31 19:58:24 GMT 2025
PRIMARY
WIKIPEDIA
1,4-Diazacycloheptane
Created by admin on Mon Mar 31 19:58:24 GMT 2025 , Edited by admin on Mon Mar 31 19:58:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID1060130
Created by admin on Mon Mar 31 19:58:24 GMT 2025 , Edited by admin on Mon Mar 31 19:58:24 GMT 2025
PRIMARY
FDA UNII
95CL167W8T
Created by admin on Mon Mar 31 19:58:24 GMT 2025 , Edited by admin on Mon Mar 31 19:58:24 GMT 2025
PRIMARY
CAS
505-66-8
Created by admin on Mon Mar 31 19:58:24 GMT 2025 , Edited by admin on Mon Mar 31 19:58:24 GMT 2025
PRIMARY
ECHA (EC/EINECS)
208-016-1
Created by admin on Mon Mar 31 19:58:24 GMT 2025 , Edited by admin on Mon Mar 31 19:58:24 GMT 2025
PRIMARY