2,2-dimethyl-N-methylidenebutanamide

C7H13NO — CID 18737269

IUPAC2,2-dimethyl-N-methylidenebutanamide
SMILESC=NC(=O)C(C)(C)CC
InChIInChI=1S/C7H13NO/c1-5-7(2,3)6(9)8-4/h4-5H2,1-3H3
InChIKeyWKWJRQPBUJUOJW-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.65
Rot. Bonds2

About 2,2-dimethyl-N-methylidenebutanamide

2,2-dimethyl-N-methylidenebutanamide (PubChem CID 18737269) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2,2-dimethyl-N-methylidenebutanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-methylidenebutanamide
PubChem CID18737269
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2,2-dimethyl-N-methylidenebutanamide
SMILESC=NC(=O)C(C)(C)CC
InChIInChI=1S/C7H13NO/c1-5-7(2,3)6(9)8-4/h4-5H2,1-3H3
InChIKeyWKWJRQPBUJUOJW-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-methylidenebutanamide?
The IUPAC name of 2,2-dimethyl-N-methylidenebutanamide (CID 18737269) is 2,2-dimethyl-N-methylidenebutanamide.
What is the SMILES notation for 2,2-dimethyl-N-methylidenebutanamide?
The canonical SMILES for 2,2-dimethyl-N-methylidenebutanamide is C=NC(=O)C(C)(C)CC.
What is the InChIKey of 2,2-dimethyl-N-methylidenebutanamide?
The InChIKey is WKWJRQPBUJUOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-7(2,3)6(9)8-4/h4-5H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-methylidenebutanamide?
2,2-dimethyl-N-methylidenebutanamide has a molecular weight of 127.19 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-methylidenebutanamide is sourced from PubChem (CID 18737269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).