1-(azepan-1-ylmethyl)cyclohexan-1-ol

C13H25NO — CID 60723363

IUPAC1-(azepan-1-ylmethyl)cyclohexan-1-ol
SMILESOC1(CN2CCCCCC2)CCCCC1
InChIInChI=1S/C13H25NO/c15-13(8-4-3-5-9-13)12-14-10-6-1-2-7-11-14/h15H,1-12H2
InChIKeyPUNUNTMTMRRGDW-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.56
Rot. Bonds2

About 1-(azepan-1-ylmethyl)cyclohexan-1-ol

1-(azepan-1-ylmethyl)cyclohexan-1-ol (PubChem CID 60723363) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(azepan-1-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(azepan-1-ylmethyl)cyclohexan-1-ol
PubChem CID60723363
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(azepan-1-ylmethyl)cyclohexan-1-ol
SMILESOC1(CN2CCCCCC2)CCCCC1
InChIInChI=1S/C13H25NO/c15-13(8-4-3-5-9-13)12-14-10-6-1-2-7-11-14/h15H,1-12H2
InChIKeyPUNUNTMTMRRGDW-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(azepan-1-ylmethyl)cyclohexan-1-ol 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-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 1-(azepan-1-ylmethyl)cyclohexan-1-ol (CID 60723363) is 1-(azepan-1-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(azepan-1-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(azepan-1-ylmethyl)cyclohexan-1-ol is OC1(CN2CCCCCC2)CCCCC1.
What is the InChIKey of 1-(azepan-1-ylmethyl)cyclohexan-1-ol?
The InChIKey is PUNUNTMTMRRGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c15-13(8-4-3-5-9-13)12-14-10-6-1-2-7-11-14/h15H,1-12H2.
What are the key properties of 1-(azepan-1-ylmethyl)cyclohexan-1-ol?
1-(azepan-1-ylmethyl)cyclohexan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 60723363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).