(E)-N-[(E)-ethylideneamino]-3-methylbutan-2-imine

C7H14N2 — CID 134924745

IUPAC(E)-N-[(E)-ethylideneamino]-3-methylbutan-2-imine
SMILESC/C=N/N=C(\C)C(C)C
InChIInChI=1S/C7H14N2/c1-5-8-9-7(4)6(2)3/h5-6H,1-4H3/b8-5+,9-7+
InChIKeyQLWUZTCQKVLHBT-OCIXRKKMSA-N
MW126.20 g/mol
LogP2.11
Rot. Bonds2

About (E)-N-[(E)-ethylideneamino]-3-methylbutan-2-imine

(E)-N-[(E)-ethylideneamino]-3-methylbutan-2-imine (PubChem CID 134924745) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (E)-N-[(E)-ethylideneamino]-3-methylbutan-2-imine.

Molecular Properties

Compound Name(E)-N-[(E)-ethylideneamino]-3-methylbutan-2-imine
PubChem CID134924745
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(E)-N-[(E)-ethylideneamino]-3-methylbutan-2-imine
SMILESC/C=N/N=C(\C)C(C)C
InChIInChI=1S/C7H14N2/c1-5-8-9-7(4)6(2)3/h5-6H,1-4H3/b8-5+,9-7+
InChIKeyQLWUZTCQKVLHBT-OCIXRKKMSA-N
XLogP2.11
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-[(E)-ethylideneamino]-3-methylbutan-2-imine 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 (E)-N-[(E)-ethylideneamino]-3-methylbutan-2-imine?
The IUPAC name of (E)-N-[(E)-ethylideneamino]-3-methylbutan-2-imine (CID 134924745) is (E)-N-[(E)-ethylideneamino]-3-methylbutan-2-imine.
What is the SMILES notation for (E)-N-[(E)-ethylideneamino]-3-methylbutan-2-imine?
The canonical SMILES for (E)-N-[(E)-ethylideneamino]-3-methylbutan-2-imine is C/C=N/N=C(\C)C(C)C.
What is the InChIKey of (E)-N-[(E)-ethylideneamino]-3-methylbutan-2-imine?
The InChIKey is QLWUZTCQKVLHBT-OCIXRKKMSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-8-9-7(4)6(2)3/h5-6H,1-4H3/b8-5+,9-7+.
What are the key properties of (E)-N-[(E)-ethylideneamino]-3-methylbutan-2-imine?
(E)-N-[(E)-ethylideneamino]-3-methylbutan-2-imine has a molecular weight of 126.20 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-ethylideneamino]-3-methylbutan-2-imine is sourced from PubChem (CID 134924745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).