1-cyano-N-(3-ethylcyclohexyl)cyclopentane-1-carboxamide

C15H24N2O — CID 64749617

IUPAC1-cyano-N-(3-ethylcyclohexyl)cyclopentane-1-carboxamide
SMILESCCC1CCCC(NC(=O)C2(C#N)CCCC2)C1
InChIInChI=1S/C15H24N2O/c1-2-12-6-5-7-13(10-12)17-14(18)15(11-16)8-3-4-9-15/h12-13H,2-10H2,1H3,(H,17,18)
InChIKeyWTJQUXFKJWCZSE-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.16
Rot. Bonds3

About 1-cyano-N-(3-ethylcyclohexyl)cyclopentane-1-carboxamide

1-cyano-N-(3-ethylcyclohexyl)cyclopentane-1-carboxamide (PubChem CID 64749617) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-cyano-N-(3-ethylcyclohexyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(3-ethylcyclohexyl)cyclopentane-1-carboxamide
PubChem CID64749617
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-cyano-N-(3-ethylcyclohexyl)cyclopentane-1-carboxamide
SMILESCCC1CCCC(NC(=O)C2(C#N)CCCC2)C1
InChIInChI=1S/C15H24N2O/c1-2-12-6-5-7-13(10-12)17-14(18)15(11-16)8-3-4-9-15/h12-13H,2-10H2,1H3,(H,17,18)
InChIKeyWTJQUXFKJWCZSE-UHFFFAOYSA-N
XLogP3.16
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyano-N-(3-ethylcyclohexyl)cyclopentane-1-carboxamide 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-cyano-N-(3-ethylcyclohexyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(3-ethylcyclohexyl)cyclopentane-1-carboxamide (CID 64749617) is 1-cyano-N-(3-ethylcyclohexyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(3-ethylcyclohexyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(3-ethylcyclohexyl)cyclopentane-1-carboxamide is CCC1CCCC(NC(=O)C2(C#N)CCCC2)C1.
What is the InChIKey of 1-cyano-N-(3-ethylcyclohexyl)cyclopentane-1-carboxamide?
The InChIKey is WTJQUXFKJWCZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-12-6-5-7-13(10-12)17-14(18)15(11-16)8-3-4-9-15/h12-13H,2-10H2,1H3,(H,17,18).
What are the key properties of 1-cyano-N-(3-ethylcyclohexyl)cyclopentane-1-carboxamide?
1-cyano-N-(3-ethylcyclohexyl)cyclopentane-1-carboxamide has a molecular weight of 248.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3-ethylcyclohexyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 64749617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).