2,3-dimethylhexanamide

C8H17NO — CID 55291364

IUPAC2,3-dimethylhexanamide
SMILESCCCC(C)C(C)C(N)=O
InChIInChI=1S/C8H17NO/c1-4-5-6(2)7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H2,9,10)
InChIKeyQRHGBXWTVIEMKQ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.54
Rot. Bonds4

About 2,3-dimethylhexanamide

2,3-dimethylhexanamide (PubChem CID 55291364) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2,3-dimethylhexanamide.

Molecular Properties

Compound Name2,3-dimethylhexanamide
PubChem CID55291364
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2,3-dimethylhexanamide
SMILESCCCC(C)C(C)C(N)=O
InChIInChI=1S/C8H17NO/c1-4-5-6(2)7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H2,9,10)
InChIKeyQRHGBXWTVIEMKQ-UHFFFAOYSA-N
XLogP1.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3R)-2,3-dimethylpentanamide
CID 170847775
2-hydroxy-3-methylhexanamide
CID 62226604
2,3-dimethylbutanediamide
CID 55281411
2,3-dimethylpentanamide;hydroxylamine
CID 88699485
4,5-dimethyloctan-3-one
CID 107895813
butane;2-hydroxypropanamide
CID 87347972
(1-hydroxy-2-methylpentyl)urea
CID 16722700
2,3-dimethyl-5-piperidin-1-ylpentanamide
CID 123521820
4,5,6-trimethylnonan-3-one
CID 142120901
2-pentan-2-ylpropanedioic acid
CID 11469359
(3S)-3-methyl-2-oxohexanamide
CID 145466724
(2S)-2-[(1-amino-1-oxopentan-2-yl)amino]propanoic acid
CID 56997535

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylhexanamide?
The IUPAC name of 2,3-dimethylhexanamide (CID 55291364) is 2,3-dimethylhexanamide.
What is the SMILES notation for 2,3-dimethylhexanamide?
The canonical SMILES for 2,3-dimethylhexanamide is CCCC(C)C(C)C(N)=O.
What is the InChIKey of 2,3-dimethylhexanamide?
The InChIKey is QRHGBXWTVIEMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-5-6(2)7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of 2,3-dimethylhexanamide?
2,3-dimethylhexanamide has a molecular weight of 143.23 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylhexanamide is sourced from PubChem (CID 55291364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).