4,4-dimethylhexanamide

C8H17NO — CID 55289687

IUPAC4,4-dimethylhexanamide
SMILESCCC(C)(C)CCC(N)=O
InChIInChI=1S/C8H17NO/c1-4-8(2,3)6-5-7(9)10/h4-6H2,1-3H3,(H2,9,10)
InChIKeyVYXXHMKUYMLQRD-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.69
Rot. Bonds4

About 4,4-dimethylhexanamide

4,4-dimethylhexanamide (PubChem CID 55289687) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4,4-dimethylhexanamide.

Molecular Properties

Compound Name4,4-dimethylhexanamide
PubChem CID55289687
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4,4-dimethylhexanamide
SMILESCCC(C)(C)CCC(N)=O
InChIInChI=1S/C8H17NO/c1-4-8(2,3)6-5-7(9)10/h4-6H2,1-3H3,(H2,9,10)
InChIKeyVYXXHMKUYMLQRD-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylhexanamide?
The IUPAC name of 4,4-dimethylhexanamide (CID 55289687) is 4,4-dimethylhexanamide.
What is the SMILES notation for 4,4-dimethylhexanamide?
The canonical SMILES for 4,4-dimethylhexanamide is CCC(C)(C)CCC(N)=O.
What is the InChIKey of 4,4-dimethylhexanamide?
The InChIKey is VYXXHMKUYMLQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-8(2,3)6-5-7(9)10/h4-6H2,1-3H3,(H2,9,10).
What are the key properties of 4,4-dimethylhexanamide?
4,4-dimethylhexanamide has a molecular weight of 143.23 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylhexanamide is sourced from PubChem (CID 55289687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).