N-(3-indol-1-ylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine

C21H25N3 — CID 166210950

IUPACN-(3-indol-1-ylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
SMILESc1ccc2c(c1)NCCCC2NCCCn1ccc2ccccc21
InChIInChI=1S/C21H25N3/c1-4-11-21-17(7-1)12-16-24(21)15-6-14-23-20-10-5-13-22-19-9-3-2-8-18(19)20/h1-4,7-9,11-12,16,20,22-23H,5-6,10,13-15H2
InChIKeyZULBBJWVGCFMSU-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.57
Rot. Bonds5

About N-(3-indol-1-ylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine

N-(3-indol-1-ylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine (PubChem CID 166210950) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
PubChem CID166210950
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC NameN-(3-indol-1-ylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
SMILESc1ccc2c(c1)NCCCC2NCCCn1ccc2ccccc21
InChIInChI=1S/C21H25N3/c1-4-11-21-17(7-1)12-16-24(21)15-6-14-23-20-10-5-13-22-19-9-3-2-8-18(19)20/h1-4,7-9,11-12,16,20,22-23H,5-6,10,13-15H2
InChIKeyZULBBJWVGCFMSU-UHFFFAOYSA-N
XLogP4.57
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-indol-1-ylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine 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 N-(3-indol-1-ylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
The IUPAC name of N-(3-indol-1-ylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine (CID 166210950) is N-(3-indol-1-ylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
The canonical SMILES for N-(3-indol-1-ylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine is c1ccc2c(c1)NCCCC2NCCCn1ccc2ccccc21.
What is the InChIKey of N-(3-indol-1-ylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
The InChIKey is ZULBBJWVGCFMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-4-11-21-17(7-1)12-16-24(21)15-6-14-23-20-10-5-13-22-19-9-3-2-8-18(19)20/h1-4,7-9,11-12,16,20,22-23H,5-6,10,13-15H2.
What are the key properties of N-(3-indol-1-ylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
N-(3-indol-1-ylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine has a molecular weight of 319.45 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine is sourced from PubChem (CID 166210950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).