1-cyano-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide

C14H24N2O — CID 113471745

IUPAC1-cyano-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide
SMILESCCCC(C)(C)NC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C14H24N2O/c1-4-8-13(2,3)16-12(17)14(11-15)9-6-5-7-10-14/h4-10H2,1-3H3,(H,16,17)
InChIKeyNHKIEPLEFPZUAL-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.16
Rot. Bonds4

About 1-cyano-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide

1-cyano-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide (PubChem CID 113471745) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-cyano-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide
PubChem CID113471745
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-cyano-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide
SMILESCCCC(C)(C)NC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C14H24N2O/c1-4-8-13(2,3)16-12(17)14(11-15)9-6-5-7-10-14/h4-10H2,1-3H3,(H,16,17)
InChIKeyNHKIEPLEFPZUAL-UHFFFAOYSA-N
XLogP3.16
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide
CID 65043719
1-cyano-N-(3-ethylpentan-3-yl)cyclopentane-1-carboxamide
CID 65043819
1-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]cycloheptane-1-carboxamide
CID 107853097
1-cyano-N-(1-hydroxy-3-methylpentan-3-yl)cyclohexane-1-carboxamide
CID 106173550
1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide
CID 111428584
1-cyano-N-pentan-2-ylcyclopentane-1-carboxamide
CID 55025382
1-cyano-3-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide
CID 80598099
1-cyano-N-(1-ethylcyclobutyl)cyclohexane-1-carboxamide
CID 113488783
1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 61461650
1-cyano-N-hexan-3-ylcyclohexane-1-carboxamide
CID 62045712
4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide
CID 65043131
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide
CID 115595323

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide (CID 113471745) is 1-cyano-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide is CCCC(C)(C)NC(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is NHKIEPLEFPZUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-8-13(2,3)16-12(17)14(11-15)9-6-5-7-10-14/h4-10H2,1-3H3,(H,16,17).
What are the key properties of 1-cyano-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide?
1-cyano-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 113471745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).