3,4,5-trimethylhept-3-enamide

C10H19NO — CID 123981814

IUPAC3,4,5-trimethylhept-3-enamide
SMILESCCC(C)C(C)=C(C)CC(N)=O
InChIInChI=1S/C10H19NO/c1-5-7(2)9(4)8(3)6-10(11)12/h7H,5-6H2,1-4H3,(H2,11,12)
InChIKeyCQBWKBLDIJRCEL-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.24
Rot. Bonds4

About 3,4,5-trimethylhept-3-enamide

3,4,5-trimethylhept-3-enamide (PubChem CID 123981814) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3,4,5-trimethylhept-3-enamide.

Molecular Properties

Compound Name3,4,5-trimethylhept-3-enamide
PubChem CID123981814
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3,4,5-trimethylhept-3-enamide
SMILESCCC(C)C(C)=C(C)CC(N)=O
InChIInChI=1S/C10H19NO/c1-5-7(2)9(4)8(3)6-10(11)12/h7H,5-6H2,1-4H3,(H2,11,12)
InChIKeyCQBWKBLDIJRCEL-UHFFFAOYSA-N
XLogP2.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4,5-trimethylhept-3-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3-oxohexanamide
CID 91421150
methane;2-methylbutanamide
CID 158835184
(E)-2,3,4-trimethylhex-2-enoic acid
CID 22726174
N-(1-aminoethylidene)-2-methylbutanamide
CID 123142152
N-acetyl-2-methylbutanamide
CID 59565834
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
(5S)-5-methylheptane-2,4-dione
CID 59270261
3-methylbutan-2-one;3-methylpentan-2-one
CID 159429251
2-methylbutanamide;oxaldehyde
CID 90898555
acetamidomethyl 2-methylbutanoate
CID 134215885
propanediamide
CID 7911
azane;3-oxobutanamide
CID 172802770

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethylhept-3-enamide?
The IUPAC name of 3,4,5-trimethylhept-3-enamide (CID 123981814) is 3,4,5-trimethylhept-3-enamide.
What is the SMILES notation for 3,4,5-trimethylhept-3-enamide?
The canonical SMILES for 3,4,5-trimethylhept-3-enamide is CCC(C)C(C)=C(C)CC(N)=O.
What is the InChIKey of 3,4,5-trimethylhept-3-enamide?
The InChIKey is CQBWKBLDIJRCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-7(2)9(4)8(3)6-10(11)12/h7H,5-6H2,1-4H3,(H2,11,12).
What are the key properties of 3,4,5-trimethylhept-3-enamide?
3,4,5-trimethylhept-3-enamide has a molecular weight of 169.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethylhept-3-enamide is sourced from PubChem (CID 123981814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).