2-cyano-N-(3,3-dimethylcyclopentyl)pentanamide

C13H22N2O — CID 114546516

IUPAC2-cyano-N-(3,3-dimethylcyclopentyl)pentanamide
SMILESCCCC(C#N)C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C13H22N2O/c1-4-5-10(9-14)12(16)15-11-6-7-13(2,3)8-11/h10-11H,4-8H2,1-3H3,(H,15,16)
InChIKeyGSBHECYEJFNOPA-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.62
Rot. Bonds4

About 2-cyano-N-(3,3-dimethylcyclopentyl)pentanamide

2-cyano-N-(3,3-dimethylcyclopentyl)pentanamide (PubChem CID 114546516) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-cyano-N-(3,3-dimethylcyclopentyl)pentanamide.

Molecular Properties

Compound Name2-cyano-N-(3,3-dimethylcyclopentyl)pentanamide
PubChem CID114546516
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-cyano-N-(3,3-dimethylcyclopentyl)pentanamide
SMILESCCCC(C#N)C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C13H22N2O/c1-4-5-10(9-14)12(16)15-11-6-7-13(2,3)8-11/h10-11H,4-8H2,1-3H3,(H,15,16)
InChIKeyGSBHECYEJFNOPA-UHFFFAOYSA-N
XLogP2.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyano-N-(3,3-dimethylcyclopentyl)pentanamide 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 2-cyano-N-(3,3-dimethylcyclopentyl)pentanamide?
The IUPAC name of 2-cyano-N-(3,3-dimethylcyclopentyl)pentanamide (CID 114546516) is 2-cyano-N-(3,3-dimethylcyclopentyl)pentanamide.
What is the SMILES notation for 2-cyano-N-(3,3-dimethylcyclopentyl)pentanamide?
The canonical SMILES for 2-cyano-N-(3,3-dimethylcyclopentyl)pentanamide is CCCC(C#N)C(=O)NC1CCC(C)(C)C1.
What is the InChIKey of 2-cyano-N-(3,3-dimethylcyclopentyl)pentanamide?
The InChIKey is GSBHECYEJFNOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-5-10(9-14)12(16)15-11-6-7-13(2,3)8-11/h10-11H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-cyano-N-(3,3-dimethylcyclopentyl)pentanamide?
2-cyano-N-(3,3-dimethylcyclopentyl)pentanamide has a molecular weight of 222.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3,3-dimethylcyclopentyl)pentanamide is sourced from PubChem (CID 114546516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).