2-methyl-N'-methylidenebutanediamide

C6H10N2O2 — CID 91033865

IUPAC2-methyl-N'-methylidenebutanediamide
SMILESC=NC(=O)CC(C)C(N)=O
InChIInChI=1S/C6H10N2O2/c1-4(6(7)10)3-5(9)8-2/h4H,2-3H2,1H3,(H2,7,10)
InChIKeyADNANPREKSALOO-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.27
Rot. Bonds3

About 2-methyl-N'-methylidenebutanediamide

2-methyl-N'-methylidenebutanediamide (PubChem CID 91033865) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-methyl-N'-methylidenebutanediamide.

Molecular Properties

Compound Name2-methyl-N'-methylidenebutanediamide
PubChem CID91033865
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2-methyl-N'-methylidenebutanediamide
SMILESC=NC(=O)CC(C)C(N)=O
InChIInChI=1S/C6H10N2O2/c1-4(6(7)10)3-5(9)8-2/h4H,2-3H2,1H3,(H2,7,10)
InChIKeyADNANPREKSALOO-UHFFFAOYSA-N
XLogP-0.27
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N'-methylidenebutanediamide 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

methyl (3S)-4-amino-3-methyl-4-oxobutanoate
CID 146955402
2-methyl-4,5-dioxoheptanamide
CID 19880553
methane;2-methylbutanamide
CID 158835184
[(2S)-3-amino-2-methyl-3-oxopropyl] acetate
CID 11205829
3-methoxy-2-methylpropanamide;hydrochloride
CID 88805694
(2R)-4-hydroxy-2-methylbutanamide
CID 89453282
(2R)-2-methyl-3-methylsulfanylpropanamide
CID 118633949
(2S)-4-amino-2-methylbutanamide
CID 87412339
(2S)-2,5-dimethyl-5-(methylamino)-4-oxohexanamide
CID 157242998
(2S)-2-fluoropropanamide
CID 129374964
4-bromo-2-methylbutanamide
CID 57350656
(2R)-2-methylpentanediamide
CID 90202517

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-methylidenebutanediamide?
The IUPAC name of 2-methyl-N'-methylidenebutanediamide (CID 91033865) is 2-methyl-N'-methylidenebutanediamide.
What is the SMILES notation for 2-methyl-N'-methylidenebutanediamide?
The canonical SMILES for 2-methyl-N'-methylidenebutanediamide is C=NC(=O)CC(C)C(N)=O.
What is the InChIKey of 2-methyl-N'-methylidenebutanediamide?
The InChIKey is ADNANPREKSALOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4(6(7)10)3-5(9)8-2/h4H,2-3H2,1H3,(H2,7,10).
What are the key properties of 2-methyl-N'-methylidenebutanediamide?
2-methyl-N'-methylidenebutanediamide has a molecular weight of 142.16 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-methylidenebutanediamide is sourced from PubChem (CID 91033865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).