2-(azepan-1-ylmethyl)-1-(cyclohexylmethyl)cyclopentan-1-ol

C19H35NO — CID 10214864

IUPAC2-(azepan-1-ylmethyl)-1-(cyclohexylmethyl)cyclopentan-1-ol
SMILESOC1(CC2CCCCC2)CCCC1CN1CCCCCC1
InChIInChI=1S/C19H35NO/c21-19(15-17-9-4-3-5-10-17)12-8-11-18(19)16-20-13-6-1-2-7-14-20/h17-18,21H,1-16H2
InChIKeyAAWPJPQLHJBWAO-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.36
Rot. Bonds4

About 2-(azepan-1-ylmethyl)-1-(cyclohexylmethyl)cyclopentan-1-ol

2-(azepan-1-ylmethyl)-1-(cyclohexylmethyl)cyclopentan-1-ol (PubChem CID 10214864) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-(azepan-1-ylmethyl)-1-(cyclohexylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(azepan-1-ylmethyl)-1-(cyclohexylmethyl)cyclopentan-1-ol
PubChem CID10214864
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name2-(azepan-1-ylmethyl)-1-(cyclohexylmethyl)cyclopentan-1-ol
SMILESOC1(CC2CCCCC2)CCCC1CN1CCCCCC1
InChIInChI=1S/C19H35NO/c21-19(15-17-9-4-3-5-10-17)12-8-11-18(19)16-20-13-6-1-2-7-14-20/h17-18,21H,1-16H2
InChIKeyAAWPJPQLHJBWAO-UHFFFAOYSA-N
XLogP4.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-ylmethyl)-1-(cyclohexylmethyl)cyclopentan-1-ol?
The IUPAC name of 2-(azepan-1-ylmethyl)-1-(cyclohexylmethyl)cyclopentan-1-ol (CID 10214864) is 2-(azepan-1-ylmethyl)-1-(cyclohexylmethyl)cyclopentan-1-ol.
What is the SMILES notation for 2-(azepan-1-ylmethyl)-1-(cyclohexylmethyl)cyclopentan-1-ol?
The canonical SMILES for 2-(azepan-1-ylmethyl)-1-(cyclohexylmethyl)cyclopentan-1-ol is OC1(CC2CCCCC2)CCCC1CN1CCCCCC1.
What is the InChIKey of 2-(azepan-1-ylmethyl)-1-(cyclohexylmethyl)cyclopentan-1-ol?
The InChIKey is AAWPJPQLHJBWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c21-19(15-17-9-4-3-5-10-17)12-8-11-18(19)16-20-13-6-1-2-7-14-20/h17-18,21H,1-16H2.
What are the key properties of 2-(azepan-1-ylmethyl)-1-(cyclohexylmethyl)cyclopentan-1-ol?
2-(azepan-1-ylmethyl)-1-(cyclohexylmethyl)cyclopentan-1-ol has a molecular weight of 293.50 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-ylmethyl)-1-(cyclohexylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 10214864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).