N-(2-cyanocyclopentyl)-4-methylcyclohexane-1-carboxamide

C14H22N2O — CID 79601921

IUPACN-(2-cyanocyclopentyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC2CCCC2C#N)CC1
InChIInChI=1S/C14H22N2O/c1-10-5-7-11(8-6-10)14(17)16-13-4-2-3-12(13)9-15/h10-13H,2-8H2,1H3,(H,16,17)
InChIKeyRQMSCXUBCNEIRL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.62
Rot. Bonds2

About N-(2-cyanocyclopentyl)-4-methylcyclohexane-1-carboxamide

N-(2-cyanocyclopentyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 79601921) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-4-methylcyclohexane-1-carboxamide
PubChem CID79601921
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(2-cyanocyclopentyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC2CCCC2C#N)CC1
InChIInChI=1S/C14H22N2O/c1-10-5-7-11(8-6-10)14(17)16-13-4-2-3-12(13)9-15/h10-13H,2-8H2,1H3,(H,16,17)
InChIKeyRQMSCXUBCNEIRL-UHFFFAOYSA-N
XLogP2.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanocyclopentyl)cyclooctanecarboxamide
CID 65018663
N-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 97121023
N-(2-cyanocyclopentyl)-5-methyloxolane-3-carboxamide
CID 114825541
N-[2-[(2-cyanocyclopentyl)amino]ethyl]cyclopropanecarboxamide
CID 115903603
[(1R,2R)-2-cyanocyclohexyl]carbamic acid
CID 89240043
3-amino-N-(2-cyanocyclopentyl)-3-methylbutanamide
CID 64679356
2-bromo-N-(2-cyanocyclopentyl)butanamide
CID 62962905
N-(2-cyanocyclopentyl)-2-cyclopentylacetamide
CID 62961621
N-(2-cyanocyclopentyl)-4-ethylpiperidine-2-carboxamide
CID 114428968
N-(2-cyanocyclopentyl)-4-(methylamino)butanamide
CID 62961468
5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid
CID 62961989
N-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide
CID 141160516

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-cyanocyclopentyl)-4-methylcyclohexane-1-carboxamide (CID 79601921) is N-(2-cyanocyclopentyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NC2CCCC2C#N)CC1.
What is the InChIKey of N-(2-cyanocyclopentyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is RQMSCXUBCNEIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-5-7-11(8-6-10)14(17)16-13-4-2-3-12(13)9-15/h10-13H,2-8H2,1H3,(H,16,17).
What are the key properties of N-(2-cyanocyclopentyl)-4-methylcyclohexane-1-carboxamide?
N-(2-cyanocyclopentyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 234.34 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 79601921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).