N'-ethylidene-N-methylprop-2-ene-1,3-diimine

C6H10N2 — CID 91250307

IUPACN'-ethylidene-N-methylprop-2-ene-1,3-diimine
SMILESC/C=N/C=C/C=N/C
InChIInChI=1S/C6H10N2/c1-3-8-6-4-5-7-2/h3-6H,1-2H3/b6-4?,7-5+,8-3+
InChIKeyIYUMLLBCYDSLLE-VAENWZMYSA-N
MW110.16 g/mol
LogP1.29
Rot. Bonds2

About N'-ethylidene-N-methylprop-2-ene-1,3-diimine

N'-ethylidene-N-methylprop-2-ene-1,3-diimine (PubChem CID 91250307) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N'-ethylidene-N-methylprop-2-ene-1,3-diimine.

Molecular Properties

Compound NameN'-ethylidene-N-methylprop-2-ene-1,3-diimine
PubChem CID91250307
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN'-ethylidene-N-methylprop-2-ene-1,3-diimine
SMILESC/C=N/C=C/C=N/C
InChIInChI=1S/C6H10N2/c1-3-8-6-4-5-7-2/h3-6H,1-2H3/b6-4?,7-5+,8-3+
InChIKeyIYUMLLBCYDSLLE-VAENWZMYSA-N
XLogP1.29
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-ethylidene-N-methylprop-2-ene-1,3-diimine 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'-ethylidene-N-methylprop-2-ene-1,3-diimine?
The IUPAC name of N'-ethylidene-N-methylprop-2-ene-1,3-diimine (CID 91250307) is N'-ethylidene-N-methylprop-2-ene-1,3-diimine.
What is the SMILES notation for N'-ethylidene-N-methylprop-2-ene-1,3-diimine?
The canonical SMILES for N'-ethylidene-N-methylprop-2-ene-1,3-diimine is C/C=N/C=C/C=N/C.
What is the InChIKey of N'-ethylidene-N-methylprop-2-ene-1,3-diimine?
The InChIKey is IYUMLLBCYDSLLE-VAENWZMYSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-8-6-4-5-7-2/h3-6H,1-2H3/b6-4?,7-5+,8-3+.
What are the key properties of N'-ethylidene-N-methylprop-2-ene-1,3-diimine?
N'-ethylidene-N-methylprop-2-ene-1,3-diimine has a molecular weight of 110.16 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylidene-N-methylprop-2-ene-1,3-diimine is sourced from PubChem (CID 91250307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).