(E)-N-ethylbut-2-en-1-imine

C6H11N — CID 5463161

IUPAC(E)-N-ethylbut-2-en-1-imine
SMILESC/C=C/C=N/CC
InChIInChI=1S/C6H11N/c1-3-5-6-7-4-2/h3,5-6H,4H2,1-2H3/b5-3+,7-6+
InChIKeyRKNWIPJTFNGBHD-TWTPFVCWSA-N
MW97.16 g/mol
LogP1.65
Rot. Bonds2

About (E)-N-ethylbut-2-en-1-imine

(E)-N-ethylbut-2-en-1-imine (PubChem CID 5463161) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is (E)-N-ethylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-ethylbut-2-en-1-imine
PubChem CID5463161
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name(E)-N-ethylbut-2-en-1-imine
SMILESC/C=C/C=N/CC
InChIInChI=1S/C6H11N/c1-3-5-6-7-4-2/h3,5-6H,4H2,1-2H3/b5-3+,7-6+
InChIKeyRKNWIPJTFNGBHD-TWTPFVCWSA-N
XLogP1.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-ethylbut-2-en-1-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-ethylbut-2-en-1-imine?
The IUPAC name of (E)-N-ethylbut-2-en-1-imine (CID 5463161) is (E)-N-ethylbut-2-en-1-imine.
What is the SMILES notation for (E)-N-ethylbut-2-en-1-imine?
The canonical SMILES for (E)-N-ethylbut-2-en-1-imine is C/C=C/C=N/CC.
What is the InChIKey of (E)-N-ethylbut-2-en-1-imine?
The InChIKey is RKNWIPJTFNGBHD-TWTPFVCWSA-N. The full InChI is InChI=1S/C6H11N/c1-3-5-6-7-4-2/h3,5-6H,4H2,1-2H3/b5-3+,7-6+.
What are the key properties of (E)-N-ethylbut-2-en-1-imine?
(E)-N-ethylbut-2-en-1-imine has a molecular weight of 97.16 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethylbut-2-en-1-imine is sourced from PubChem (CID 5463161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).