3-methyl-2-methylidenehexanamide

C8H15NO — CID 22416284

IUPAC3-methyl-2-methylidenehexanamide
SMILESC=C(C(N)=O)C(C)CCC
InChIInChI=1S/C8H15NO/c1-4-5-6(2)7(3)8(9)10/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeyHGNVOUCBIAFNLT-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.46
Rot. Bonds4

About 3-methyl-2-methylidenehexanamide

3-methyl-2-methylidenehexanamide (PubChem CID 22416284) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-methyl-2-methylidenehexanamide.

Molecular Properties

Compound Name3-methyl-2-methylidenehexanamide
PubChem CID22416284
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-methyl-2-methylidenehexanamide
SMILESC=C(C(N)=O)C(C)CCC
InChIInChI=1S/C8H15NO/c1-4-5-6(2)7(3)8(9)10/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeyHGNVOUCBIAFNLT-UHFFFAOYSA-N
XLogP1.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-methyl-2-methylidenehexanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidenehexanamide?
The IUPAC name of 3-methyl-2-methylidenehexanamide (CID 22416284) is 3-methyl-2-methylidenehexanamide.
What is the SMILES notation for 3-methyl-2-methylidenehexanamide?
The canonical SMILES for 3-methyl-2-methylidenehexanamide is C=C(C(N)=O)C(C)CCC.
What is the InChIKey of 3-methyl-2-methylidenehexanamide?
The InChIKey is HGNVOUCBIAFNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-6(2)7(3)8(9)10/h6H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of 3-methyl-2-methylidenehexanamide?
3-methyl-2-methylidenehexanamide has a molecular weight of 141.21 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidenehexanamide is sourced from PubChem (CID 22416284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).