N-(4-cyanocyclohexyl)-5-methylhexanamide

C14H24N2O — CID 116817048

IUPACN-(4-cyanocyclohexyl)-5-methylhexanamide
SMILESCC(C)CCCC(=O)NC1CCC(C#N)CC1
InChIInChI=1S/C14H24N2O/c1-11(2)4-3-5-14(17)16-13-8-6-12(10-15)7-9-13/h11-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyQYKKLGZOXNMYEM-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.01
Rot. Bonds5

About N-(4-cyanocyclohexyl)-5-methylhexanamide

N-(4-cyanocyclohexyl)-5-methylhexanamide (PubChem CID 116817048) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(4-cyanocyclohexyl)-5-methylhexanamide.

Molecular Properties

Compound NameN-(4-cyanocyclohexyl)-5-methylhexanamide
PubChem CID116817048
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(4-cyanocyclohexyl)-5-methylhexanamide
SMILESCC(C)CCCC(=O)NC1CCC(C#N)CC1
InChIInChI=1S/C14H24N2O/c1-11(2)4-3-5-14(17)16-13-8-6-12(10-15)7-9-13/h11-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyQYKKLGZOXNMYEM-UHFFFAOYSA-N
XLogP3.01
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid
CID 115277307
N-[4-(cyanomethyl)cyclohexyl]-4-methylpentanamide
CID 116817135
N-(3-aminocyclopentyl)-5-methylhexanamide
CID 115272906
5-amino-N-cyclopropylhexanamide
CID 82848782
9-methyl-N-(4-propan-2-yloxycyclohexyl)decanamide
CID 166461461
N,N'-dicyclopropyldecanediamide
CID 4668836
N-(4-cyanocyclohexyl)-2-cyclopentylacetamide
CID 116817039
N-cyclopropyl-4-[[N'-methyl-N-(7-methyloctyl)carbamimidoyl]amino]butanamide
CID 111204664
2-cyano-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylbutanamide
CID 79400785
N-(4-cyanocyclohexyl)-2-cyclohexylacetamide
CID 116817040
2-[4-(4-methylpentanoylamino)cyclohexyl]acetic acid
CID 116817186
N-[4-(2-hydroxyethyl)cyclohexyl]-4-methylpentanamide
CID 116817227

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanocyclohexyl)-5-methylhexanamide?
The IUPAC name of N-(4-cyanocyclohexyl)-5-methylhexanamide (CID 116817048) is N-(4-cyanocyclohexyl)-5-methylhexanamide.
What is the SMILES notation for N-(4-cyanocyclohexyl)-5-methylhexanamide?
The canonical SMILES for N-(4-cyanocyclohexyl)-5-methylhexanamide is CC(C)CCCC(=O)NC1CCC(C#N)CC1.
What is the InChIKey of N-(4-cyanocyclohexyl)-5-methylhexanamide?
The InChIKey is QYKKLGZOXNMYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)4-3-5-14(17)16-13-8-6-12(10-15)7-9-13/h11-13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-(4-cyanocyclohexyl)-5-methylhexanamide?
N-(4-cyanocyclohexyl)-5-methylhexanamide has a molecular weight of 236.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanocyclohexyl)-5-methylhexanamide is sourced from PubChem (CID 116817048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).