6-cyano-4-methylhexanamide

C8H14N2O — CID 87903617

IUPAC6-cyano-4-methylhexanamide
SMILESCC(CCC#N)CCC(N)=O
InChIInChI=1S/C8H14N2O/c1-7(3-2-6-9)4-5-8(10)11/h7H,2-5H2,1H3,(H2,10,11)
InChIKeyUOKXJGBYKANWAA-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.19
Rot. Bonds5

About 6-cyano-4-methylhexanamide

6-cyano-4-methylhexanamide (PubChem CID 87903617) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 6-cyano-4-methylhexanamide.

Molecular Properties

Compound Name6-cyano-4-methylhexanamide
PubChem CID87903617
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name6-cyano-4-methylhexanamide
SMILESCC(CCC#N)CCC(N)=O
InChIInChI=1S/C8H14N2O/c1-7(3-2-6-9)4-5-8(10)11/h7H,2-5H2,1H3,(H2,10,11)
InChIKeyUOKXJGBYKANWAA-UHFFFAOYSA-N
XLogP1.19
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylheptanedinitrile
CID 12673956
4,7-dimethyloctanamide
CID 16638041
10-cyanodecanamide
CID 87916786
21-methyldotetracontanediamide
CID 87333254
N-(4-cyano-2-methylbutyl)acetamide
CID 122547945
4-methyl-5-oxohexanenitrile
CID 11564477
5-amino-N-(3-cyanopropyl)-4-methylpentanamide
CID 82010988
(2R)-2-methylpentanediamide
CID 90202517
4,6-dimethylheptanenitrile
CID 12673955
2-methylpentanediamide
CID 19688970
3-(3-cyanopropylamino)propanamide
CID 43553561
5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide
CID 82017217

Frequently Asked Questions

What is the IUPAC name of 6-cyano-4-methylhexanamide?
The IUPAC name of 6-cyano-4-methylhexanamide (CID 87903617) is 6-cyano-4-methylhexanamide.
What is the SMILES notation for 6-cyano-4-methylhexanamide?
The canonical SMILES for 6-cyano-4-methylhexanamide is CC(CCC#N)CCC(N)=O.
What is the InChIKey of 6-cyano-4-methylhexanamide?
The InChIKey is UOKXJGBYKANWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(3-2-6-9)4-5-8(10)11/h7H,2-5H2,1H3,(H2,10,11).
What are the key properties of 6-cyano-4-methylhexanamide?
6-cyano-4-methylhexanamide has a molecular weight of 154.21 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-4-methylhexanamide is sourced from PubChem (CID 87903617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).