N-(1-cyanocyclohexyl)-2,2-dimethylcyclopentane-1-carboxamide

C15H24N2O — CID 104918975

IUPACN-(1-cyanocyclohexyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C15H24N2O/c1-14(2)8-6-7-12(14)13(18)17-15(11-16)9-4-3-5-10-15/h12H,3-10H2,1-2H3,(H,17,18)
InChIKeyXGSQYSUURUFLJH-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.16
Rot. Bonds2

About N-(1-cyanocyclohexyl)-2,2-dimethylcyclopentane-1-carboxamide

N-(1-cyanocyclohexyl)-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 104918975) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID104918975
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(1-cyanocyclohexyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C15H24N2O/c1-14(2)8-6-7-12(14)13(18)17-15(11-16)9-4-3-5-10-15/h12H,3-10H2,1-2H3,(H,17,18)
InChIKeyXGSQYSUURUFLJH-UHFFFAOYSA-N
XLogP3.16
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanocyclooctyl)cyclohexanecarboxamide
CID 54904581
2,2-dichloro-N-(1-cyanocyclopentyl)cyclopropane-1-carboxamide
CID 78831224
N-(1-cyanocyclooctyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79673741
N-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79673742
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
N-(1-cyanocyclohexyl)oxane-2-carboxamide
CID 62213888
1-(1-cyanocyclohexyl)-3-cyclopropylurea
CID 55209173
1-(1-cyanocyclooctyl)-3-cyclopropylurea
CID 62698920
N-(2-cyanopropyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104919622
N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide
CID 60968681
2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide
CID 107178834
1-(1-cyanocyclooctyl)-3-cyclohexylurea
CID 61124742

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2,2-dimethylcyclopentane-1-carboxamide (CID 104918975) is N-(1-cyanocyclohexyl)-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2,2-dimethylcyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)NC1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is XGSQYSUURUFLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-14(2)8-6-7-12(14)13(18)17-15(11-16)9-4-3-5-10-15/h12H,3-10H2,1-2H3,(H,17,18).
What are the key properties of N-(1-cyanocyclohexyl)-2,2-dimethylcyclopentane-1-carboxamide?
N-(1-cyanocyclohexyl)-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 248.37 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 104918975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).