3,5-dimethylhex-3-enamide

C8H15NO — CID 76566666

IUPAC3,5-dimethylhex-3-enamide
SMILESCC(=CC(C)C)CC(N)=O
InChIInChI=1S/C8H15NO/c1-6(2)4-7(3)5-8(9)10/h4,6H,5H2,1-3H3,(H2,9,10)
InChIKeyXSQHQTIYPUPLMW-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.46
Rot. Bonds3

About 3,5-dimethylhex-3-enamide

3,5-dimethylhex-3-enamide (PubChem CID 76566666) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3,5-dimethylhex-3-enamide.

Molecular Properties

Compound Name3,5-dimethylhex-3-enamide
PubChem CID76566666
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3,5-dimethylhex-3-enamide
SMILESCC(=CC(C)C)CC(N)=O
InChIInChI=1S/C8H15NO/c1-6(2)4-7(3)5-8(9)10/h4,6H,5H2,1-3H3,(H2,9,10)
InChIKeyXSQHQTIYPUPLMW-UHFFFAOYSA-N
XLogP1.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-2,4-dimethylhex-3-ene
CID 5463169
2,4-dimethylpent-2-en-1-ol
CID 54511819
(Z)-4-methylpent-2-en-2-amine
CID 154483305
3,5-dimethylhex-2-enamide;3,5-dimethylhex-3-enamide;hydron;2-methylidene-4-(trifluoromethyl)-1H-pyridine
CID 157480796
2,4-dimethyl-6-methylidenenon-3-ene
CID 123168107
propanediamide
CID 7911
azane;3-oxobutanamide
CID 172802770
(4S)-4-amino-3-oxopentanamide
CID 23519305
2,4-dimethyl-N-(2-methylpropyl)pent-2-en-1-amine
CID 79341169
3,4,5-trimethylhept-3-enamide
CID 123981814
2,4,6,6-tetramethylhept-3-ene
CID 76726617
4,5-dimethyl-3-oxohexanamide
CID 87390570

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylhex-3-enamide?
The IUPAC name of 3,5-dimethylhex-3-enamide (CID 76566666) is 3,5-dimethylhex-3-enamide.
What is the SMILES notation for 3,5-dimethylhex-3-enamide?
The canonical SMILES for 3,5-dimethylhex-3-enamide is CC(=CC(C)C)CC(N)=O.
What is the InChIKey of 3,5-dimethylhex-3-enamide?
The InChIKey is XSQHQTIYPUPLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)4-7(3)5-8(9)10/h4,6H,5H2,1-3H3,(H2,9,10).
What are the key properties of 3,5-dimethylhex-3-enamide?
3,5-dimethylhex-3-enamide has a molecular weight of 141.21 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylhex-3-enamide is sourced from PubChem (CID 76566666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).