3-methyl-N-methylidenepentanamide

C7H13NO — CID 90749213

IUPAC3-methyl-N-methylidenepentanamide
SMILESC=NC(=O)CC(C)CC
InChIInChI=1S/C7H13NO/c1-4-6(2)5-7(9)8-3/h6H,3-5H2,1-2H3
InChIKeyABEUXAYZTFASHG-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.65
Rot. Bonds3

About 3-methyl-N-methylidenepentanamide

3-methyl-N-methylidenepentanamide (PubChem CID 90749213) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-methyl-N-methylidenepentanamide.

Molecular Properties

Compound Name3-methyl-N-methylidenepentanamide
PubChem CID90749213
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-methyl-N-methylidenepentanamide
SMILESC=NC(=O)CC(C)CC
InChIInChI=1S/C7H13NO/c1-4-6(2)5-7(9)8-3/h6H,3-5H2,1-2H3
InChIKeyABEUXAYZTFASHG-UHFFFAOYSA-N
XLogP1.65
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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 3-methyl-N-methylidenepentanamide?
The IUPAC name of 3-methyl-N-methylidenepentanamide (CID 90749213) is 3-methyl-N-methylidenepentanamide.
What is the SMILES notation for 3-methyl-N-methylidenepentanamide?
The canonical SMILES for 3-methyl-N-methylidenepentanamide is C=NC(=O)CC(C)CC.
What is the InChIKey of 3-methyl-N-methylidenepentanamide?
The InChIKey is ABEUXAYZTFASHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-6(2)5-7(9)8-3/h6H,3-5H2,1-2H3.
What are the key properties of 3-methyl-N-methylidenepentanamide?
3-methyl-N-methylidenepentanamide has a molecular weight of 127.19 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-methylidenepentanamide is sourced from PubChem (CID 90749213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).