3-imino-N-propan-2-ylbutanamide

C7H14N2O — CID 54134004

IUPAC3-imino-N-propan-2-ylbutanamide
SMILES[H]/N=C(\C)CC(=O)NC(C)C
InChIInChI=1S/C7H14N2O/c1-5(2)9-7(10)4-6(3)8/h5,8H,4H2,1-3H3,(H,9,10)/b8-6+
InChIKeyNWJJHSADCZJOCY-SOFGYWHQSA-N
MW142.20 g/mol
LogP0.94
Rot. Bonds3

About 3-imino-N-propan-2-ylbutanamide

3-imino-N-propan-2-ylbutanamide (PubChem CID 54134004) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-imino-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3-imino-N-propan-2-ylbutanamide
PubChem CID54134004
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-imino-N-propan-2-ylbutanamide
SMILES[H]/N=C(\C)CC(=O)NC(C)C
InChIInChI=1S/C7H14N2O/c1-5(2)9-7(10)4-6(3)8/h5,8H,4H2,1-3H3,(H,9,10)/b8-6+
InChIKeyNWJJHSADCZJOCY-SOFGYWHQSA-N
XLogP0.94
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-imino-N-propan-2-ylbutanamide 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 3-imino-N-propan-2-ylbutanamide?
The IUPAC name of 3-imino-N-propan-2-ylbutanamide (CID 54134004) is 3-imino-N-propan-2-ylbutanamide.
What is the SMILES notation for 3-imino-N-propan-2-ylbutanamide?
The canonical SMILES for 3-imino-N-propan-2-ylbutanamide is [H]/N=C(\C)CC(=O)NC(C)C.
What is the InChIKey of 3-imino-N-propan-2-ylbutanamide?
The InChIKey is NWJJHSADCZJOCY-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5(2)9-7(10)4-6(3)8/h5,8H,4H2,1-3H3,(H,9,10)/b8-6+.
What are the key properties of 3-imino-N-propan-2-ylbutanamide?
3-imino-N-propan-2-ylbutanamide has a molecular weight of 142.20 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N-propan-2-ylbutanamide is sourced from PubChem (CID 54134004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).