N-(1-cyanocyclohexyl)-2-methylpentanamide

C13H22N2O — CID 60704678

IUPACN-(1-cyanocyclohexyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C13H22N2O/c1-3-7-11(2)12(16)15-13(10-14)8-5-4-6-9-13/h11H,3-9H2,1-2H3,(H,15,16)
InChIKeySLVADBJPJXVASP-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.77
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-methylpentanamide

N-(1-cyanocyclohexyl)-2-methylpentanamide (PubChem CID 60704678) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-methylpentanamide
PubChem CID60704678
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(1-cyanocyclohexyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C13H22N2O/c1-3-7-11(2)12(16)15-13(10-14)8-5-4-6-9-13/h11H,3-9H2,1-2H3,(H,15,16)
InChIKeySLVADBJPJXVASP-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Acetamide, N-(1-cyanocyclohexyl)-
CID 199610
n-Tert-butylcyclohexanecarboxamide
CID 246895
N-tert-butyl-3-cyclohexylpropanamide
CID 802979
Valeramide, N-tert-butyl-2-propyl-
CID 200809
N-(1-Cyanocyclopentyl)pentanamide
CID 11790092
N-(1-cyanocyclopropyl)cyclohexanecarboxamide
CID 68559496
N-tert-butyl-4-methylcyclohexane-1-carboxamide
CID 79005587
N-(1-cyanocyclopentyl)-2-methylpropanamide
CID 50986529
N-(1-cyanocyclohexyl)-4,4,4-trifluorobutanamide
CID 65711553
N-(1-cyano-4-methylcyclohexyl)-4,4,4-trifluorobutanamide
CID 65711749
N-(2-cyanobutan-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78989546
N-(3-cyanopentan-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79001340

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-methylpentanamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-methylpentanamide (CID 60704678) is N-(1-cyanocyclohexyl)-2-methylpentanamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-methylpentanamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-methylpentanamide is CCCC(C)C(=O)NC1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-methylpentanamide?
The InChIKey is SLVADBJPJXVASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-7-11(2)12(16)15-13(10-14)8-5-4-6-9-13/h11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N-(1-cyanocyclohexyl)-2-methylpentanamide?
N-(1-cyanocyclohexyl)-2-methylpentanamide has a molecular weight of 222.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-methylpentanamide is sourced from PubChem (CID 60704678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).