N-methyl-1-(1-phenylcyclohexyl)heptan-1-amine

C20H33N — CID 63418164

IUPACN-methyl-1-(1-phenylcyclohexyl)heptan-1-amine
SMILESCCCCCCC(NC)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C20H33N/c1-3-4-5-10-15-19(21-2)20(16-11-7-12-17-20)18-13-8-6-9-14-18/h6,8-9,13-14,19,21H,3-5,7,10-12,15-17H2,1-2H3
InChIKeyIQTXJKFPBJZBOD-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.45
Rot. Bonds8

About N-methyl-1-(1-phenylcyclohexyl)heptan-1-amine

N-methyl-1-(1-phenylcyclohexyl)heptan-1-amine (PubChem CID 63418164) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-methyl-1-(1-phenylcyclohexyl)heptan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(1-phenylcyclohexyl)heptan-1-amine
PubChem CID63418164
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-methyl-1-(1-phenylcyclohexyl)heptan-1-amine
SMILESCCCCCCC(NC)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C20H33N/c1-3-4-5-10-15-19(21-2)20(16-11-7-12-17-20)18-13-8-6-9-14-18/h6,8-9,13-14,19,21H,3-5,7,10-12,15-17H2,1-2H3
InChIKeyIQTXJKFPBJZBOD-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-1-(1-phenylcyclohexyl)heptan-1-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-methyl-1-(1-phenylcyclohexyl)heptan-1-amine?
The IUPAC name of N-methyl-1-(1-phenylcyclohexyl)heptan-1-amine (CID 63418164) is N-methyl-1-(1-phenylcyclohexyl)heptan-1-amine.
What is the SMILES notation for N-methyl-1-(1-phenylcyclohexyl)heptan-1-amine?
The canonical SMILES for N-methyl-1-(1-phenylcyclohexyl)heptan-1-amine is CCCCCCC(NC)C1(c2ccccc2)CCCCC1.
What is the InChIKey of N-methyl-1-(1-phenylcyclohexyl)heptan-1-amine?
The InChIKey is IQTXJKFPBJZBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-3-4-5-10-15-19(21-2)20(16-11-7-12-17-20)18-13-8-6-9-14-18/h6,8-9,13-14,19,21H,3-5,7,10-12,15-17H2,1-2H3.
What are the key properties of N-methyl-1-(1-phenylcyclohexyl)heptan-1-amine?
N-methyl-1-(1-phenylcyclohexyl)heptan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-phenylcyclohexyl)heptan-1-amine is sourced from PubChem (CID 63418164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).