2,3,4,5-tetrahydro-1H-1-benzazepin-9-ylmethanamine

C11H16N2 — CID 84655683

IUPAC2,3,4,5-tetrahydro-1H-1-benzazepin-9-ylmethanamine
SMILESNCc1cccc2c1NCCCC2
InChIInChI=1S/C11H16N2/c12-8-10-6-3-5-9-4-1-2-7-13-11(9)10/h3,5-6,13H,1-2,4,7-8,12H2
InChIKeyJXJWZSIQLOGSGY-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.89
Rot. Bonds1

About 2,3,4,5-tetrahydro-1H-1-benzazepin-9-ylmethanamine

2,3,4,5-tetrahydro-1H-1-benzazepin-9-ylmethanamine (PubChem CID 84655683) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1H-1-benzazepin-9-ylmethanamine.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1H-1-benzazepin-9-ylmethanamine
PubChem CID84655683
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2,3,4,5-tetrahydro-1H-1-benzazepin-9-ylmethanamine
SMILESNCc1cccc2c1NCCCC2
InChIInChI=1S/C11H16N2/c12-8-10-6-3-5-9-4-1-2-7-13-11(9)10/h3,5-6,13H,1-2,4,7-8,12H2
InChIKeyJXJWZSIQLOGSGY-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,3,4,5-tetrahydro-1H-1-benzazepin-9-ylmethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydro-1H-1-benzazepin-9-ylmethanamine?
The IUPAC name of 2,3,4,5-tetrahydro-1H-1-benzazepin-9-ylmethanamine (CID 84655683) is 2,3,4,5-tetrahydro-1H-1-benzazepin-9-ylmethanamine.
What is the SMILES notation for 2,3,4,5-tetrahydro-1H-1-benzazepin-9-ylmethanamine?
The canonical SMILES for 2,3,4,5-tetrahydro-1H-1-benzazepin-9-ylmethanamine is NCc1cccc2c1NCCCC2.
What is the InChIKey of 2,3,4,5-tetrahydro-1H-1-benzazepin-9-ylmethanamine?
The InChIKey is JXJWZSIQLOGSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c12-8-10-6-3-5-9-4-1-2-7-13-11(9)10/h3,5-6,13H,1-2,4,7-8,12H2.
What are the key properties of 2,3,4,5-tetrahydro-1H-1-benzazepin-9-ylmethanamine?
2,3,4,5-tetrahydro-1H-1-benzazepin-9-ylmethanamine has a molecular weight of 176.26 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1H-1-benzazepin-9-ylmethanamine is sourced from PubChem (CID 84655683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).