N-(1-cyano-4-methylcyclohexyl)-3,4,4-trimethylpentanamide

C16H28N2O — CID 55260135

IUPACN-(1-cyano-4-methylcyclohexyl)-3,4,4-trimethylpentanamide
SMILESCC1CCC(C#N)(NC(=O)CC(C)C(C)(C)C)CC1
InChIInChI=1S/C16H28N2O/c1-12-6-8-16(11-17,9-7-12)18-14(19)10-13(2)15(3,4)5/h12-13H,6-10H2,1-5H3,(H,18,19)
InChIKeyVMKJXBUPFXKLKG-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.65
Rot. Bonds3

About N-(1-cyano-4-methylcyclohexyl)-3,4,4-trimethylpentanamide

N-(1-cyano-4-methylcyclohexyl)-3,4,4-trimethylpentanamide (PubChem CID 55260135) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)-3,4,4-trimethylpentanamide
PubChem CID55260135
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-(1-cyano-4-methylcyclohexyl)-3,4,4-trimethylpentanamide
SMILESCC1CCC(C#N)(NC(=O)CC(C)C(C)(C)C)CC1
InChIInChI=1S/C16H28N2O/c1-12-6-8-16(11-17,9-7-12)18-14(19)10-13(2)15(3,4)5/h12-13H,6-10H2,1-5H3,(H,18,19)
InChIKeyVMKJXBUPFXKLKG-UHFFFAOYSA-N
XLogP3.65
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide
CID 65119708
N-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide
CID 61121520
N-(1-cyano-4-methylcyclohexyl)-2-ethylhexanamide
CID 61119147
N-[1-(hydroxymethyl)cyclopropyl]-3,4,4-trimethylpentanamide
CID 115877710
N-[cyano(cyclopropyl)methyl]-3,4,4-trimethylpentanamide
CID 63822324
N-(1-cyano-4-methylcyclohexyl)-3-(oxolan-2-yl)propanamide
CID 65156261
1-(1-cyano-4-methylcyclohexyl)-3-cyclobutylurea
CID 116658255
N-(1-cyano-4-methylcyclohexyl)-3-(2-methylphenyl)propanamide
CID 62366218
methyl 2-[(1-cyano-4-methylcyclohexyl)amino]acetate
CID 28702826
N-(cyanomethyl)-3,4,4-trimethylpentanamide
CID 63820858
N-cyclopropyl-3,4,4-trimethylpentanamide
CID 63820853
N-(1-cyanocyclopentyl)-3,3-dimethylbutanamide
CID 55029199

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-methylcyclohexyl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)-3,4,4-trimethylpentanamide (CID 55260135) is N-(1-cyano-4-methylcyclohexyl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)-3,4,4-trimethylpentanamide is CC1CCC(C#N)(NC(=O)CC(C)C(C)(C)C)CC1.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)-3,4,4-trimethylpentanamide?
The InChIKey is VMKJXBUPFXKLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12-6-8-16(11-17,9-7-12)18-14(19)10-13(2)15(3,4)5/h12-13H,6-10H2,1-5H3,(H,18,19).
What are the key properties of N-(1-cyano-4-methylcyclohexyl)-3,4,4-trimethylpentanamide?
N-(1-cyano-4-methylcyclohexyl)-3,4,4-trimethylpentanamide has a molecular weight of 264.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-methylcyclohexyl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 55260135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).