1-methyl-2,3,4,5-tetrahydro-1-benzazepin-6-amine

C11H16N2 — CID 83852967

IUPAC1-methyl-2,3,4,5-tetrahydro-1-benzazepin-6-amine
SMILESCN1CCCCc2c(N)cccc21
InChIInChI=1S/C11H16N2/c1-13-8-3-2-5-9-10(12)6-4-7-11(9)13/h4,6-7H,2-3,5,8,12H2,1H3
InChIKeyYTSWGOOOIPRPNF-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.04
Rot. Bonds

About 1-methyl-2,3,4,5-tetrahydro-1-benzazepin-6-amine

1-methyl-2,3,4,5-tetrahydro-1-benzazepin-6-amine (PubChem CID 83852967) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-methyl-2,3,4,5-tetrahydro-1-benzazepin-6-amine.

Molecular Properties

Compound Name1-methyl-2,3,4,5-tetrahydro-1-benzazepin-6-amine
PubChem CID83852967
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-methyl-2,3,4,5-tetrahydro-1-benzazepin-6-amine
SMILESCN1CCCCc2c(N)cccc21
InChIInChI=1S/C11H16N2/c1-13-8-3-2-5-9-10(12)6-4-7-11(9)13/h4,6-7H,2-3,5,8,12H2,1H3
InChIKeyYTSWGOOOIPRPNF-UHFFFAOYSA-N
XLogP2.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-2,3,4,5-tetrahydro-1-benzazepin-6-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

1,5-dimethyl-3,4-dihydro-2H-quinoline;ethane
CID 144655769
1-butyl-3,4-dihydro-2H-quinolin-5-amine
CID 60972612
1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine
CID 54881503
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone
CID 82761808
1-(3-methylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-amine
CID 115777493
1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-quinolin-5-amine
CID 60971754
methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine
CID 161272103
5-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)-1H-pyrazol-3-amine
CID 117329151
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 82707476
(4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
CID 79152622
1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dichlorophenyl)methanone
CID 82744828

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,4,5-tetrahydro-1-benzazepin-6-amine?
The IUPAC name of 1-methyl-2,3,4,5-tetrahydro-1-benzazepin-6-amine (CID 83852967) is 1-methyl-2,3,4,5-tetrahydro-1-benzazepin-6-amine.
What is the SMILES notation for 1-methyl-2,3,4,5-tetrahydro-1-benzazepin-6-amine?
The canonical SMILES for 1-methyl-2,3,4,5-tetrahydro-1-benzazepin-6-amine is CN1CCCCc2c(N)cccc21.
What is the InChIKey of 1-methyl-2,3,4,5-tetrahydro-1-benzazepin-6-amine?
The InChIKey is YTSWGOOOIPRPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-13-8-3-2-5-9-10(12)6-4-7-11(9)13/h4,6-7H,2-3,5,8,12H2,1H3.
What are the key properties of 1-methyl-2,3,4,5-tetrahydro-1-benzazepin-6-amine?
1-methyl-2,3,4,5-tetrahydro-1-benzazepin-6-amine has a molecular weight of 176.26 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,4,5-tetrahydro-1-benzazepin-6-amine is sourced from PubChem (CID 83852967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).