1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine

C19H32N2 — CID 114336060

IUPAC1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCCCCCCCCCN1CCCC(N)c2ccccc21
InChIInChI=1S/C19H32N2/c1-2-3-4-5-6-7-10-15-21-16-11-13-18(20)17-12-8-9-14-19(17)21/h8-9,12,14,18H,2-7,10-11,13,15-16,20H2,1H3
InChIKeyGFSAXBMVEVXHTF-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.04
Rot. Bonds8

About 1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine

1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine (PubChem CID 114336060) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine.

Molecular Properties

Compound Name1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
PubChem CID114336060
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCCCCCCCCCN1CCCC(N)c2ccccc21
InChIInChI=1S/C19H32N2/c1-2-3-4-5-6-7-10-15-21-16-11-13-18(20)17-12-8-9-14-19(17)21/h8-9,12,14,18H,2-7,10-11,13,15-16,20H2,1H3
InChIKeyGFSAXBMVEVXHTF-UHFFFAOYSA-N
XLogP5.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-nonyl-2,3,4,5-tetrahydro-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

Related Compounds

1-(4-methoxybutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336160
1-octyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338347
1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335975
3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide
CID 114336013
1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336111
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol
CID 114336015
1-(4-phenylbutyl)-3,4-dihydro-2H-quinolin-4-amine
CID 114332852
1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-4-amine
CID 83153620
1-[2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyridin-2-one
CID 114336159
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
5-heptyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 64851622
5-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol
CID 114336464

Frequently Asked Questions

What is the IUPAC name of 1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The IUPAC name of 1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine (CID 114336060) is 1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine.
What is the SMILES notation for 1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The canonical SMILES for 1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine is CCCCCCCCCN1CCCC(N)c2ccccc21.
What is the InChIKey of 1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The InChIKey is GFSAXBMVEVXHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-2-3-4-5-6-7-10-15-21-16-11-13-18(20)17-12-8-9-14-19(17)21/h8-9,12,14,18H,2-7,10-11,13,15-16,20H2,1H3.
What are the key properties of 1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine has a molecular weight of 288.48 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine is sourced from PubChem (CID 114336060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).