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

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Related Compounds

2-bromo-N-(3,3-dimethylcyclopentyl)butanamide
CID 114544484
2-cyano-N-(2-methoxycyclopentyl)pentanamide
CID 55210163
2-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide
CID 80720993
2-[butan-2-yl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid
CID 114549103
ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-oxoacetate
CID 114550597
N-(3,3-dimethylcyclopentyl)-2-(propan-2-ylamino)acetamide
CID 114546396
2-(butan-2-ylamino)-N-(3,3-dimethylcyclopentyl)acetamide
CID 114546344
(2S)-2-[(3,3-dimethylcyclopentyl)amino]-N-methylpropanamide
CID 130718522
N-cyclopropyl-2-[(3,3-dimethylcyclopentyl)amino]propanamide
CID 115880300
ethyl 2-cyano-3-(1,3-dihydroxycyclopentyl)propanoate
CID 141443677
4-butyl-N-(3,3-dimethylcyclopentyl)cyclohexane-1-carboxamide
CID 114550438
N-(3,3-dimethylcyclopentyl)-2-(2-hydroxyphenyl)acetamide
CID 113345738

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).