N-(2-cyano-2-methylpropyl)-2,2-dimethylcyclohexane-1-carboxamide

C14H24N2O — CID 107178617

IUPACN-(2-cyano-2-methylpropyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(C)(C#N)CNC(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H24N2O/c1-13(2,9-15)10-16-12(17)11-7-5-6-8-14(11,3)4/h11H,5-8,10H2,1-4H3,(H,16,17)
InChIKeyFYJIGOOPSRMLIX-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.87
Rot. Bonds3

About N-(2-cyano-2-methylpropyl)-2,2-dimethylcyclohexane-1-carboxamide

N-(2-cyano-2-methylpropyl)-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107178617) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(2-cyano-2-methylpropyl)-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-2-methylpropyl)-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107178617
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(2-cyano-2-methylpropyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(C)(C#N)CNC(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H24N2O/c1-13(2,9-15)10-16-12(17)11-7-5-6-8-14(11,3)4/h11H,5-8,10H2,1-4H3,(H,16,17)
InChIKeyFYJIGOOPSRMLIX-UHFFFAOYSA-N
XLogP2.87
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-
CID 62907
trans-(1R,2R)-1-N-(cyanomethyl)-2-N,2-N-dimethylcyclohexane-1,2-dicarboxamide
CID 60195809
Ethyl menthane carboxamide, (1R,3R,4S)-
CID 7168187
3-cyclohexyl-N-(2-methylpropyl)propanamide
CID 803724
3-cyclohexyl-N-propylpropanamide
CID 4451812
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
2-(Isopropyl)-5-methyl-N-propylcyclohexanecarboxamide
CID 3018432
N-butyl-3-cyclohexylpropanamide
CID 1756824
(5R,6R)-5-methyl-8-azaspiro[5.6]dodecan-7-one
CID 25222940
N-(2-acetamidoethyl)-3-cyclohexylbutanamide
CID 53583328
2-[(1R)-2,2-dimethylcyclohexyl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 164631415
N-Ethyl-1-isopropylcycloheptanecarboxamide
CID 91874

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-2-methylpropyl)-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-cyano-2-methylpropyl)-2,2-dimethylcyclohexane-1-carboxamide (CID 107178617) is N-(2-cyano-2-methylpropyl)-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-cyano-2-methylpropyl)-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-cyano-2-methylpropyl)-2,2-dimethylcyclohexane-1-carboxamide is CC(C)(C#N)CNC(=O)C1CCCCC1(C)C.
What is the InChIKey of N-(2-cyano-2-methylpropyl)-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is FYJIGOOPSRMLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13(2,9-15)10-16-12(17)11-7-5-6-8-14(11,3)4/h11H,5-8,10H2,1-4H3,(H,16,17).
What are the key properties of N-(2-cyano-2-methylpropyl)-2,2-dimethylcyclohexane-1-carboxamide?
N-(2-cyano-2-methylpropyl)-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-2-methylpropyl)-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107178617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).