1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide

C13H22N2O — CID 60738598

IUPAC1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide
SMILESCC(C)CCCNC(=O)C1(C#N)CCCC1
InChIInChI=1S/C13H22N2O/c1-11(2)6-5-9-15-12(16)13(10-14)7-3-4-8-13/h11H,3-9H2,1-2H3,(H,15,16)
InChIKeyZHAIBDWWEMINHD-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.62
Rot. Bonds5

About 1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide

1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide (PubChem CID 60738598) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide
PubChem CID60738598
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide
SMILESCC(C)CCCNC(=O)C1(C#N)CCCC1
InChIInChI=1S/C13H22N2O/c1-11(2)6-5-9-15-12(16)13(10-14)7-3-4-8-13/h11H,3-9H2,1-2H3,(H,15,16)
InChIKeyZHAIBDWWEMINHD-UHFFFAOYSA-N
XLogP2.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyano-N-(5-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide
CID 106161672
1-cyano-N-hexylcyclobutane-1-carboxamide
CID 78994999
1-cyano-N-(3-cyclopropylpropyl)cyclopentane-1-carboxamide
CID 115635940
1-cyano-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 78994504
1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide
CID 78994604
1-cyano-N-[2-[di(propan-2-yl)amino]ethyl]cyclobutane-1-carboxamide
CID 78994466
1-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide
CID 81172040
1-cyano-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
CID 61461120
1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide
CID 115631260
1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide
CID 78994350
1-cyano-N-(3-phenylbutyl)cyclohexane-1-carboxamide
CID 62404207
1-cyano-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide
CID 80598370

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide (CID 60738598) is 1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide is CC(C)CCCNC(=O)C1(C#N)CCCC1.
What is the InChIKey of 1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide?
The InChIKey is ZHAIBDWWEMINHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)6-5-9-15-12(16)13(10-14)7-3-4-8-13/h11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide?
1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 60738598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).