2,3-dimethyl-N-methylidenebutanamide

C7H13NO — CID 20642804

IUPAC2,3-dimethyl-N-methylidenebutanamide
SMILESC=NC(=O)C(C)C(C)C
InChIInChI=1S/C7H13NO/c1-5(2)6(3)7(9)8-4/h5-6H,4H2,1-3H3
InChIKeyVXFDCBSWWORULW-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.51
Rot. Bonds2

About 2,3-dimethyl-N-methylidenebutanamide

2,3-dimethyl-N-methylidenebutanamide (PubChem CID 20642804) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2,3-dimethyl-N-methylidenebutanamide.

Molecular Properties

Compound Name2,3-dimethyl-N-methylidenebutanamide
PubChem CID20642804
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2,3-dimethyl-N-methylidenebutanamide
SMILESC=NC(=O)C(C)C(C)C
InChIInChI=1S/C7H13NO/c1-5(2)6(3)7(9)8-4/h5-6H,4H2,1-3H3
InChIKeyVXFDCBSWWORULW-UHFFFAOYSA-N
XLogP1.51
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2,3-dimethyl-N-methylidenebutanamide 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

2-Methylpropanecarbonylisocyanate
CID 12642343
2-methyl-N-methylidenepropanamide
CID 13050063
2,2-dimethyl-N-methylidenebutanamide
CID 18737269
2-methyl-N-methylidenebutanamide
CID 18737273
N-ethylidene-2-methylbutanamide
CID 20716715
3,3-dimethyl-N-methylidenebutanamide
CID 88267046
N-methylidenebutanamide
CID 90694828
3-methyl-N-methylidenepentanamide
CID 90749213
3-methyl-N-methylidenebutanamide
CID 123611148
4-methyl-N-methylidenepentanamide
CID 148976283
(2S)-2,3-dimethyl-N-methylidenebutanamide
CID 153648097
methane;2-methyl-N-methylidenebutanamide
CID 159995822

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-methylidenebutanamide?
The IUPAC name of 2,3-dimethyl-N-methylidenebutanamide (CID 20642804) is 2,3-dimethyl-N-methylidenebutanamide.
What is the SMILES notation for 2,3-dimethyl-N-methylidenebutanamide?
The canonical SMILES for 2,3-dimethyl-N-methylidenebutanamide is C=NC(=O)C(C)C(C)C.
What is the InChIKey of 2,3-dimethyl-N-methylidenebutanamide?
The InChIKey is VXFDCBSWWORULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)6(3)7(9)8-4/h5-6H,4H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-methylidenebutanamide?
2,3-dimethyl-N-methylidenebutanamide has a molecular weight of 127.19 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-methylidenebutanamide is sourced from PubChem (CID 20642804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).