[1-(azepan-1-yl)cyclohexyl]methanamine

C13H26N2 — CID 9161374

IUPAC[1-(azepan-1-yl)cyclohexyl]methanamine
SMILESNCC1(N2CCCCCC2)CCCCC1
InChIInChI=1S/C13H26N2/c14-12-13(8-4-3-5-9-13)15-10-6-1-2-7-11-15/h1-12,14H2
InChIKeyZZAIMEBDRZFIHM-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.52
Rot. Bonds2

About [1-(azepan-1-yl)cyclohexyl]methanamine

[1-(azepan-1-yl)cyclohexyl]methanamine (PubChem CID 9161374) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is [1-(azepan-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(azepan-1-yl)cyclohexyl]methanamine
PubChem CID9161374
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name[1-(azepan-1-yl)cyclohexyl]methanamine
SMILESNCC1(N2CCCCCC2)CCCCC1
InChIInChI=1S/C13H26N2/c14-12-13(8-4-3-5-9-13)15-10-6-1-2-7-11-15/h1-12,14H2
InChIKeyZZAIMEBDRZFIHM-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(azepan-1-yl)cyclohexyl]methanamine 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 [1-(azepan-1-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(azepan-1-yl)cyclohexyl]methanamine (CID 9161374) is [1-(azepan-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(azepan-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(azepan-1-yl)cyclohexyl]methanamine is NCC1(N2CCCCCC2)CCCCC1.
What is the InChIKey of [1-(azepan-1-yl)cyclohexyl]methanamine?
The InChIKey is ZZAIMEBDRZFIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c14-12-13(8-4-3-5-9-13)15-10-6-1-2-7-11-15/h1-12,14H2.
What are the key properties of [1-(azepan-1-yl)cyclohexyl]methanamine?
[1-(azepan-1-yl)cyclohexyl]methanamine has a molecular weight of 210.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azepan-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 9161374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).