2-methylhexanamide

C7H15NO — CID 2828737

IUPAC2-methylhexanamide
SMILESCCCCC(C)C(N)=O
InChIInChI=1S/C7H15NO/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H2,8,9)
InChIKeyZRLFRWNYFMYZEG-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.30
Rot. Bonds4

About 2-methylhexanamide

2-methylhexanamide (PubChem CID 2828737) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-methylhexanamide.

Molecular Properties

Compound Name2-methylhexanamide
PubChem CID2828737
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-methylhexanamide
SMILESCCCCC(C)C(N)=O
InChIInChI=1S/C7H15NO/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H2,8,9)
InChIKeyZRLFRWNYFMYZEG-UHFFFAOYSA-N
XLogP1.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylheptanamide;2-methylhexanamide
CID 160718848
sodium;hydride;2-methyloctanamide
CID 174470127
(E)-2-methyloctadec-9-enamide
CID 19371032
2-methyloctanamide;9-octylheptadecan-9-amine
CID 175322603
ethyl 2-methylhexanoate
CID 12714009
(2S)-2-methyl-5-sulfanylpentanamide
CID 173149777
(2S)-2-(sulfanylamino)hexanamide
CID 142110567
2-methylicosa-11,14-dienamide
CID 175746328
2-butylpropanediamide
CID 2317243
(2R)-2-methylhexanoate
CID 6999857
propyl 2-methylhexanoate
CID 15464658
(2S)-4-amino-2-methylbutanamide
CID 87412339

Frequently Asked Questions

What is the IUPAC name of 2-methylhexanamide?
The IUPAC name of 2-methylhexanamide (CID 2828737) is 2-methylhexanamide.
What is the SMILES notation for 2-methylhexanamide?
The canonical SMILES for 2-methylhexanamide is CCCCC(C)C(N)=O.
What is the InChIKey of 2-methylhexanamide?
The InChIKey is ZRLFRWNYFMYZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H2,8,9).
What are the key properties of 2-methylhexanamide?
2-methylhexanamide has a molecular weight of 129.20 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexanamide is sourced from PubChem (CID 2828737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).