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

C19H35NO — CID 10193045

IUPAC2-(azepan-1-ylmethyl)-1-cyclopentylcycloheptan-1-ol
SMILESOC1(C2CCCC2)CCCCCC1CN1CCCCCC1
InChIInChI=1S/C19H35NO/c21-19(17-10-5-6-11-17)13-7-3-4-12-18(19)16-20-14-8-1-2-9-15-20/h17-18,21H,1-16H2
InChIKeyKKPJSMNESKOSDE-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.36
Rot. Bonds3

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

2-(azepan-1-ylmethyl)-1-cyclopentylcycloheptan-1-ol (PubChem CID 10193045) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-(azepan-1-ylmethyl)-1-cyclopentylcycloheptan-1-ol.

Molecular Properties

Compound Name2-(azepan-1-ylmethyl)-1-cyclopentylcycloheptan-1-ol
PubChem CID10193045
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name2-(azepan-1-ylmethyl)-1-cyclopentylcycloheptan-1-ol
SMILESOC1(C2CCCC2)CCCCCC1CN1CCCCCC1
InChIInChI=1S/C19H35NO/c21-19(17-10-5-6-11-17)13-7-3-4-12-18(19)16-20-14-8-1-2-9-15-20/h17-18,21H,1-16H2
InChIKeyKKPJSMNESKOSDE-UHFFFAOYSA-N
XLogP4.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

Analyze 2-(azepan-1-ylmethyl)-1-cyclopentylcycloheptan-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

Related Compounds

1-Cyclopentyl-2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol
CID 10125341
1-Cyclopentyl-2-(pyrrolidin-1-ylmethyl)cyclododecan-1-ol
CID 10193446
2-(Azepan-1-ylmethyl)-1-(cyclohexylmethyl)cyclopentan-1-ol
CID 10214864
1-Cyclohexyl-2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol
CID 10308249
2-(Azepan-1-ylmethyl)-1-cyclopentylcyclohexan-1-ol
CID 10308250
1-Cyclopentyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol
CID 10308929
4-(Cyclopentylmethyl)-1-methylazepan-4-ol
CID 65154144
2-(Azepan-1-ylmethyl)-1-cyclohexylcycloheptan-1-ol
CID 68801292
2-(Azepan-1-ylmethyl)-1-cyclopentylcyclopentan-1-ol
CID 68802245
1-(Azepan-1-yl)-3-(cyclohexylmethyl)-2-methylpentan-3-ol
CID 68802763
2-(Azepan-1-ylmethyl)-1-cyclohexylcyclopentan-1-ol
CID 68802888
1-(Azepan-1-yl)-3-(cyclohexylmethyl)-4-methylpentan-3-ol
CID 91048541

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-ylmethyl)-1-cyclopentylcycloheptan-1-ol?
The IUPAC name of 2-(azepan-1-ylmethyl)-1-cyclopentylcycloheptan-1-ol (CID 10193045) is 2-(azepan-1-ylmethyl)-1-cyclopentylcycloheptan-1-ol.
What is the SMILES notation for 2-(azepan-1-ylmethyl)-1-cyclopentylcycloheptan-1-ol?
The canonical SMILES for 2-(azepan-1-ylmethyl)-1-cyclopentylcycloheptan-1-ol is OC1(C2CCCC2)CCCCCC1CN1CCCCCC1.
What is the InChIKey of 2-(azepan-1-ylmethyl)-1-cyclopentylcycloheptan-1-ol?
The InChIKey is KKPJSMNESKOSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c21-19(17-10-5-6-11-17)13-7-3-4-12-18(19)16-20-14-8-1-2-9-15-20/h17-18,21H,1-16H2.
What are the key properties of 2-(azepan-1-ylmethyl)-1-cyclopentylcycloheptan-1-ol?
2-(azepan-1-ylmethyl)-1-cyclopentylcycloheptan-1-ol has a molecular weight of 293.50 g/mol, XLogP of 4.36, 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-cyclopentylcycloheptan-1-ol is sourced from PubChem (CID 10193045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).