(3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine

C12H18N2 — CID 124681115

IUPAC(3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
SMILESCN(C)[C@H]1CCc2ccccc2NC1
InChIInChI=1S/C12H18N2/c1-14(2)11-8-7-10-5-3-4-6-12(10)13-9-11/h3-6,11,13H,7-9H2,1-2H3/t11-/m0/s1
InChIKeyIBNDJMBBVBQZKX-NSHDSACASA-N
MW190.29 g/mol
LogP1.97
Rot. Bonds1

About (3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine

(3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine (PubChem CID 124681115) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
PubChem CID124681115
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
SMILESCN(C)[C@H]1CCc2ccccc2NC1
InChIInChI=1S/C12H18N2/c1-14(2)11-8-7-10-5-3-4-6-12(10)13-9-11/h3-6,11,13H,7-9H2,1-2H3/t11-/m0/s1
InChIKeyIBNDJMBBVBQZKX-NSHDSACASA-N
XLogP1.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314121
(3S)-7-bromo-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 125424444
N-[(2-bromophenyl)methyl]-N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314084
N-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314140
N-(cyclopropylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314157
N,N-dimethyl-N'-(2-methylpropyl)-N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)ethane-1,2-diamine
CID 103314051
N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314167
N-(2-methylpropyl)-N-pentan-3-yl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 103314187
3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 84717070
N-cycloheptyl-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 54861284
N,N-dimethyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)piperidin-4-amine
CID 54861271
(3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 125481085

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine?
The IUPAC name of (3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine (CID 124681115) is (3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine.
What is the SMILES notation for (3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine?
The canonical SMILES for (3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine is CN(C)[C@H]1CCc2ccccc2NC1.
What is the InChIKey of (3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine?
The InChIKey is IBNDJMBBVBQZKX-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2/c1-14(2)11-8-7-10-5-3-4-6-12(10)13-9-11/h3-6,11,13H,7-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine?
(3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine has a molecular weight of 190.29 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine is sourced from PubChem (CID 124681115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).