N-(2-cyanoethyl)-N-cyclopentylpentanamide

C13H22N2O — CID 98014383

IUPACN-(2-cyanoethyl)-N-cyclopentylpentanamide
SMILESCCCCC(=O)N(CCC#N)C1CCCC1
InChIInChI=1S/C13H22N2O/c1-2-3-9-13(16)15(11-6-10-14)12-7-4-5-8-12/h12H,2-9,11H2,1H3
InChIKeyKIHLCYPOCHLLPI-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.86
Rot. Bonds6

About N-(2-cyanoethyl)-N-cyclopentylpentanamide

N-(2-cyanoethyl)-N-cyclopentylpentanamide (PubChem CID 98014383) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopentylpentanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopentylpentanamide
PubChem CID98014383
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(2-cyanoethyl)-N-cyclopentylpentanamide
SMILESCCCCC(=O)N(CCC#N)C1CCCC1
InChIInChI=1S/C13H22N2O/c1-2-3-9-13(16)15(11-6-10-14)12-7-4-5-8-12/h12H,2-9,11H2,1H3
InChIKeyKIHLCYPOCHLLPI-UHFFFAOYSA-N
XLogP2.86
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexylpentanamide
CID 82103900
3-chloro-N-(2-cyanoethyl)-N-cyclopropylpropanamide
CID 61038810
4-[2-cyanoethyl(cyclopropyl)amino]-4-oxobutanoic acid
CID 61040006
N-(2-chloroethyl)-N-cyclohexyloctanamide
CID 63391554
N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide
CID 115680039
N-(2-bromoethyl)-N-cyclohexyloctanamide
CID 80658420
N-(2-aminoethyl)-N-cyclobutylheptanamide
CID 102874052
N-(2-bromoethyl)-N-cyclobutyloctanamide
CID 102873095
N-(3-aminopropyl)-N-cyclobutylhexanamide
CID 102873870
N-cyclobutyl-N-(3-hydroxypropyl)decanamide
CID 102866665
N-(3-aminopropyl)-N-cycloheptylheptanamide
CID 114751887
N-butyl-2-cyano-N-cyclopropylacetamide
CID 61443044

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopentylpentanamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopentylpentanamide (CID 98014383) is N-(2-cyanoethyl)-N-cyclopentylpentanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopentylpentanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopentylpentanamide is CCCCC(=O)N(CCC#N)C1CCCC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopentylpentanamide?
The InChIKey is KIHLCYPOCHLLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-3-9-13(16)15(11-6-10-14)12-7-4-5-8-12/h12H,2-9,11H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopentylpentanamide?
N-(2-cyanoethyl)-N-cyclopentylpentanamide has a molecular weight of 222.33 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopentylpentanamide is sourced from PubChem (CID 98014383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).