7-chloro-N-[6-(cyclohexylmethyl)-3-pyridinyl]-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine

About 7-chloro-N-[6-(cyclohexylmethyl)-3-pyridinyl]-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine

7-chloro-N-[6-(cyclohexylmethyl)-3-pyridinyl]-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine (PubChem CID 66707054) has the molecular formula C23H30ClN3 and a molecular weight of 383.97 g/mol. Its IUPAC name is 7-chloro-N-[6-(cyclohexylmethyl)-3-pyridinyl]-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine.

Molecular Properties

Compound Name	7-chloro-N-[6-(cyclohexylmethyl)-3-pyridinyl]-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
PubChem CID	66707054
Molecular Formula	C23H30ClN3
Molecular Weight	383.97 g/mol
Exact Mass	383.21
IUPAC Name	7-chloro-N-[6-(cyclohexylmethyl)-3-pyridinyl]-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
SMILES	CN(c1ccc(CC2CCCCC2)nc1)c1c(Cl)ccc2c1CCNCC2
InChI	InChI=1S/C23H30ClN3/c1-27(23-21-12-14-25-13-11-18(21)7-10-22(23)24)20-9-8-19(26-16-20)15-17-5-3-2-4-6-17/h7-10,16-17,25H,2-6,11-15H2,1H3
InChIKey	CZGBSCWVCPVONY-UHFFFAOYSA-N
XLogP	5.31
TPSA	28.16 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.97
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[6-(cyclohexylmethyl)-3-pyridinyl]-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine?

The IUPAC name of 7-chloro-N-[6-(cyclohexylmethyl)-3-pyridinyl]-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine (CID 66707054) is 7-chloro-N-[6-(cyclohexylmethyl)-3-pyridinyl]-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine.

What is the SMILES notation for 7-chloro-N-[6-(cyclohexylmethyl)-3-pyridinyl]-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine?

The canonical SMILES for 7-chloro-N-[6-(cyclohexylmethyl)-3-pyridinyl]-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine is CN(c1ccc(CC2CCCCC2)nc1)c1c(Cl)ccc2c1CCNCC2.

What is the InChIKey of 7-chloro-N-[6-(cyclohexylmethyl)-3-pyridinyl]-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine?

The InChIKey is CZGBSCWVCPVONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3/c1-27(23-21-12-14-25-13-11-18(21)7-10-22(23)24)20-9-8-19(26-16-20)15-17-5-3-2-4-6-17/h7-10,16-17,25H,2-6,11-15H2,1H3.

What are the key properties of 7-chloro-N-[6-(cyclohexylmethyl)-3-pyridinyl]-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine?

7-chloro-N-[6-(cyclohexylmethyl)-3-pyridinyl]-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine has a molecular weight of 383.97 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-N-[6-(cyclohexylmethyl)-3-pyridinyl]-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine is sourced from PubChem (CID 66707054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).