N-butylidene-2-methylpropanamide

C8H15NO — CID 166776151

IUPACN-butylidene-2-methylpropanamide
SMILESCCC/C=N/C(=O)C(C)C
InChIInChI=1S/C8H15NO/c1-4-5-6-9-8(10)7(2)3/h6-7H,4-5H2,1-3H3/b9-6+
InChIKeyDTXCEHDOTMVMEA-RMKNXTFCSA-N
MW141.21 g/mol
LogP2.04
Rot. Bonds3

About N-butylidene-2-methylpropanamide

N-butylidene-2-methylpropanamide (PubChem CID 166776151) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-butylidene-2-methylpropanamide.

Molecular Properties

Compound NameN-butylidene-2-methylpropanamide
PubChem CID166776151
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-butylidene-2-methylpropanamide
SMILESCCC/C=N/C(=O)C(C)C
InChIInChI=1S/C8H15NO/c1-4-5-6-9-8(10)7(2)3/h6-7H,4-5H2,1-3H3/b9-6+
InChIKeyDTXCEHDOTMVMEA-RMKNXTFCSA-N
XLogP2.04
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-butylidene-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butylidene-2-methylpropanamide?
The IUPAC name of N-butylidene-2-methylpropanamide (CID 166776151) is N-butylidene-2-methylpropanamide.
What is the SMILES notation for N-butylidene-2-methylpropanamide?
The canonical SMILES for N-butylidene-2-methylpropanamide is CCC/C=N/C(=O)C(C)C.
What is the InChIKey of N-butylidene-2-methylpropanamide?
The InChIKey is DTXCEHDOTMVMEA-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-6-9-8(10)7(2)3/h6-7H,4-5H2,1-3H3/b9-6+.
What are the key properties of N-butylidene-2-methylpropanamide?
N-butylidene-2-methylpropanamide has a molecular weight of 141.21 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylidene-2-methylpropanamide is sourced from PubChem (CID 166776151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).