N-(1-cyanocyclopentyl)-N-methylcyclohexanecarboxamide

C14H22N2O — CID 82129288

IUPACN-(1-cyanocyclopentyl)-N-methylcyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)C1(C#N)CCCC1
InChIInChI=1S/C14H22N2O/c1-16(14(11-15)9-5-6-10-14)13(17)12-7-3-2-4-8-12/h12H,2-10H2,1H3
InChIKeyLNCMJNAPDDSYEA-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.86
Rot. Bonds2

About N-(1-cyanocyclopentyl)-N-methylcyclohexanecarboxamide

N-(1-cyanocyclopentyl)-N-methylcyclohexanecarboxamide (PubChem CID 82129288) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-N-methylcyclohexanecarboxamide
PubChem CID82129288
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(1-cyanocyclopentyl)-N-methylcyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)C1(C#N)CCCC1
InChIInChI=1S/C14H22N2O/c1-16(14(11-15)9-5-6-10-14)13(17)12-7-3-2-4-8-12/h12H,2-10H2,1H3
InChIKeyLNCMJNAPDDSYEA-UHFFFAOYSA-N
XLogP2.86
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanocyclopentyl)-N-methylacetamide
CID 82125090
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CID 95142294
(2R)-2-chloro-N-(1-cyanocyclohexyl)-N-methylpropanamide
CID 7131211
N-(1-cyanocyclobutyl)-N-methyl-1-[(2R)-2-methyl-3-methylsulfanylpropanoyl]piperidine-4-carboxamide
CID 124889220
N-(cyanomethyl)-N-methylcycloheptanecarboxamide
CID 62586502
(3S)-1-benzyl-N-(1-cyanocyclobutyl)-N-methylpiperidine-3-carboxamide
CID 95281203
N-(1-cyanocyclohexyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 78962673
1-(dimethylamino)cyclooctane-1-carbonitrile
CID 43802603
2-(3-aminoazetidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 65249965
2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]sulfanylacetic acid
CID 43091446
N-(1-cyanocyclohexyl)-2-(2-hydroxyethylsulfanyl)-N-methylacetamide
CID 43393702
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CID 55462141

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-N-methylcyclohexanecarboxamide?
The IUPAC name of N-(1-cyanocyclopentyl)-N-methylcyclohexanecarboxamide (CID 82129288) is N-(1-cyanocyclopentyl)-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-N-methylcyclohexanecarboxamide is CN(C(=O)C1CCCCC1)C1(C#N)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-N-methylcyclohexanecarboxamide?
The InChIKey is LNCMJNAPDDSYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16(14(11-15)9-5-6-10-14)13(17)12-7-3-2-4-8-12/h12H,2-10H2,1H3.
What are the key properties of N-(1-cyanocyclopentyl)-N-methylcyclohexanecarboxamide?
N-(1-cyanocyclopentyl)-N-methylcyclohexanecarboxamide has a molecular weight of 234.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 82129288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).