tert-butyl N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)carbamate

C15H22N2O2 — CID 83825841

IUPACtert-butyl N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)CNCCC2
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-13-7-6-11-5-4-8-16-10-12(11)9-13/h6-7,9,16H,4-5,8,10H2,1-3H3,(H,17,18)
InChIKeyDYCSVFQEQVXOOR-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.07
Rot. Bonds1

About tert-butyl N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)carbamate

tert-butyl N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)carbamate (PubChem CID 83825841) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)carbamate
PubChem CID83825841
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)CNCCC2
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-13-7-6-11-5-4-8-16-10-12(11)9-13/h6-7,9,16H,4-5,8,10H2,1-3H3,(H,17,18)
InChIKeyDYCSVFQEQVXOOR-UHFFFAOYSA-N
XLogP3.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(2,3-dihydro-1H-isoindol-5-yl)carbamate
CID 67369231
tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate
CID 134368267
tert-butyl N-(7-acetyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)carbamate
CID 168876766
1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901955
tert-butyl N-(6-bromo-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate
CID 125450008
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride
CID 119581054
tert-butyl 3-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanoate
CID 142433320
tert-butyl N-[(Z)-piperidin-3-ylidenemethyl]carbamate
CID 123338941
2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901524
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119581157
tert-butyl N-(7-methyl-2,3-dihydro-1H-indol-5-yl)carbamate
CID 117274564
tert-butyl N-(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamate
CID 117274629

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)carbamate?
The IUPAC name of tert-butyl N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)carbamate (CID 83825841) is tert-butyl N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)carbamate?
The canonical SMILES for tert-butyl N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)carbamate is CC(C)(C)OC(=O)Nc1ccc2c(c1)CNCCC2.
What is the InChIKey of tert-butyl N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)carbamate?
The InChIKey is DYCSVFQEQVXOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-13-7-6-11-5-4-8-16-10-12(11)9-13/h6-7,9,16H,4-5,8,10H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)carbamate?
tert-butyl N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)carbamate has a molecular weight of 262.35 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)carbamate is sourced from PubChem (CID 83825841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).