(4E)-4-(oxiran-2-ylimino)butan-1-amine

C6H12N2O — CID 58907663

IUPAC(4E)-4-(oxiran-2-ylimino)butan-1-amine
SMILESNCCC/C=N/C1CO1
InChIInChI=1S/C6H12N2O/c7-3-1-2-4-8-6-5-9-6/h4,6H,1-3,5,7H2/b8-4+
InChIKeyVLJUWGANFPHCSD-XBXARRHUSA-N
MW128.17 g/mol
LogP0.15
Rot. Bonds4

About (4E)-4-(oxiran-2-ylimino)butan-1-amine

(4E)-4-(oxiran-2-ylimino)butan-1-amine (PubChem CID 58907663) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (4E)-4-(oxiran-2-ylimino)butan-1-amine.

Molecular Properties

Compound Name(4E)-4-(oxiran-2-ylimino)butan-1-amine
PubChem CID58907663
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(4E)-4-(oxiran-2-ylimino)butan-1-amine
SMILESNCCC/C=N/C1CO1
InChIInChI=1S/C6H12N2O/c7-3-1-2-4-8-6-5-9-6/h4,6H,1-3,5,7H2/b8-4+
InChIKeyVLJUWGANFPHCSD-XBXARRHUSA-N
XLogP0.15
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (4E)-4-(oxiran-2-ylimino)butan-1-amine 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 (4E)-4-(oxiran-2-ylimino)butan-1-amine?
The IUPAC name of (4E)-4-(oxiran-2-ylimino)butan-1-amine (CID 58907663) is (4E)-4-(oxiran-2-ylimino)butan-1-amine.
What is the SMILES notation for (4E)-4-(oxiran-2-ylimino)butan-1-amine?
The canonical SMILES for (4E)-4-(oxiran-2-ylimino)butan-1-amine is NCCC/C=N/C1CO1.
What is the InChIKey of (4E)-4-(oxiran-2-ylimino)butan-1-amine?
The InChIKey is VLJUWGANFPHCSD-XBXARRHUSA-N. The full InChI is InChI=1S/C6H12N2O/c7-3-1-2-4-8-6-5-9-6/h4,6H,1-3,5,7H2/b8-4+.
What are the key properties of (4E)-4-(oxiran-2-ylimino)butan-1-amine?
(4E)-4-(oxiran-2-ylimino)butan-1-amine has a molecular weight of 128.17 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(oxiran-2-ylimino)butan-1-amine is sourced from PubChem (CID 58907663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).