2-(azepan-1-ylmethyl)-1-cyclohexylcyclopentan-1-ol

C18H33NO — CID 68802888

IUPAC2-(azepan-1-ylmethyl)-1-cyclohexylcyclopentan-1-ol
SMILESOC1(C2CCCCC2)CCCC1CN1CCCCCC1
InChIInChI=1S/C18H33NO/c20-18(16-9-4-3-5-10-16)12-8-11-17(18)15-19-13-6-1-2-7-14-19/h16-17,20H,1-15H2
InChIKeyNERPFUOYPDSCQX-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.97
Rot. Bonds3

About 2-(azepan-1-ylmethyl)-1-cyclohexylcyclopentan-1-ol

2-(azepan-1-ylmethyl)-1-cyclohexylcyclopentan-1-ol (PubChem CID 68802888) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-(azepan-1-ylmethyl)-1-cyclohexylcyclopentan-1-ol.

Molecular Properties

Compound Name2-(azepan-1-ylmethyl)-1-cyclohexylcyclopentan-1-ol
PubChem CID68802888
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name2-(azepan-1-ylmethyl)-1-cyclohexylcyclopentan-1-ol
SMILESOC1(C2CCCCC2)CCCC1CN1CCCCCC1
InChIInChI=1S/C18H33NO/c20-18(16-9-4-3-5-10-16)12-8-11-17(18)15-19-13-6-1-2-7-14-19/h16-17,20H,1-15H2
InChIKeyNERPFUOYPDSCQX-UHFFFAOYSA-N
XLogP3.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.97
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-cyclohexylcyclopentan-1-ol?
The IUPAC name of 2-(azepan-1-ylmethyl)-1-cyclohexylcyclopentan-1-ol (CID 68802888) is 2-(azepan-1-ylmethyl)-1-cyclohexylcyclopentan-1-ol.
What is the SMILES notation for 2-(azepan-1-ylmethyl)-1-cyclohexylcyclopentan-1-ol?
The canonical SMILES for 2-(azepan-1-ylmethyl)-1-cyclohexylcyclopentan-1-ol is OC1(C2CCCCC2)CCCC1CN1CCCCCC1.
What is the InChIKey of 2-(azepan-1-ylmethyl)-1-cyclohexylcyclopentan-1-ol?
The InChIKey is NERPFUOYPDSCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c20-18(16-9-4-3-5-10-16)12-8-11-17(18)15-19-13-6-1-2-7-14-19/h16-17,20H,1-15H2.
What are the key properties of 2-(azepan-1-ylmethyl)-1-cyclohexylcyclopentan-1-ol?
2-(azepan-1-ylmethyl)-1-cyclohexylcyclopentan-1-ol has a molecular weight of 279.47 g/mol, XLogP of 3.97, 3 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-cyclohexylcyclopentan-1-ol is sourced from PubChem (CID 68802888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).