2-methyl-N-methylidenebutanamide

C6H11NO — CID 18737273

IUPAC2-methyl-N-methylidenebutanamide
SMILESC=NC(=O)C(C)CC
InChIInChI=1S/C6H11NO/c1-4-5(2)6(8)7-3/h5H,3-4H2,1-2H3
InChIKeyNXGDAMPQDYIEBT-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.26
Rot. Bonds2

About 2-methyl-N-methylidenebutanamide

2-methyl-N-methylidenebutanamide (PubChem CID 18737273) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-methyl-N-methylidenebutanamide.

Molecular Properties

Compound Name2-methyl-N-methylidenebutanamide
PubChem CID18737273
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-methyl-N-methylidenebutanamide
SMILESC=NC(=O)C(C)CC
InChIInChI=1S/C6H11NO/c1-4-5(2)6(8)7-3/h5H,3-4H2,1-2H3
InChIKeyNXGDAMPQDYIEBT-UHFFFAOYSA-N
XLogP1.26
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methylpropanecarbonylisocyanate
CID 12642343
2-methyl-N-methylidenepropanamide
CID 13050063
2,2-dimethyl-N-methylidenebutanamide
CID 18737269
2,3-dimethyl-N-methylidenebutanamide
CID 20642804
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
2,2-dimethyl-N-methylidenebutanamide;methane
CID 158174001

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-methylidenebutanamide?
The IUPAC name of 2-methyl-N-methylidenebutanamide (CID 18737273) is 2-methyl-N-methylidenebutanamide.
What is the SMILES notation for 2-methyl-N-methylidenebutanamide?
The canonical SMILES for 2-methyl-N-methylidenebutanamide is C=NC(=O)C(C)CC.
What is the InChIKey of 2-methyl-N-methylidenebutanamide?
The InChIKey is NXGDAMPQDYIEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-5(2)6(8)7-3/h5H,3-4H2,1-2H3.
What are the key properties of 2-methyl-N-methylidenebutanamide?
2-methyl-N-methylidenebutanamide has a molecular weight of 113.16 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-methylidenebutanamide is sourced from PubChem (CID 18737273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).