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Details

Stereochemistry MIXED
Molecular Formula C17H24N2O2
Molecular Weight 288.3847
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1-Dimethylethyl 3-(phenylmethyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate

SMILES

CC(C)(C)OC(=O)N1C2CC1CN(CC3=CC=CC=C3)C2

InChI

InChIKey=IIJSJGFJIACTJF-UHFFFAOYSA-N
InChI=1S/C17H24N2O2/c1-17(2,3)21-16(20)19-14-9-15(19)12-18(11-14)10-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C17H24N2O2
Molecular Weight 288.3847
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:58:39 GMT 2025
Edited
by admin
on Wed Apr 02 17:58:39 GMT 2025
Record UNII
MD897J643J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1-Dimethylethyl 3-(phenylmethyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
Systematic Name English
3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid, 3-(phenylmethyl)-, 1,1-dimethylethyl ester
Preferred Name English
3-Benzyl-6-(tert-butyloxycarbonyl)-3,6-diazabicyclo[3.1.1]heptane
Systematic Name English
Code System Code Type Description
CAS
869494-15-5
Created by admin on Wed Apr 02 17:58:39 GMT 2025 , Edited by admin on Wed Apr 02 17:58:39 GMT 2025
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FDA UNII
MD897J643J
Created by admin on Wed Apr 02 17:58:39 GMT 2025 , Edited by admin on Wed Apr 02 17:58:39 GMT 2025
PRIMARY
PUBCHEM
69448027
Created by admin on Wed Apr 02 17:58:39 GMT 2025 , Edited by admin on Wed Apr 02 17:58:39 GMT 2025
PRIMARY