(Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine

C7H12N2 — CID 139551607

IUPAC(Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine
SMILESC=N/C=C(C)\C=N\CC
InChIInChI=1S/C7H12N2/c1-4-9-6-7(2)5-8-3/h5-6H,3-4H2,1-2H3/b7-5-,9-6+
InChIKeyYUDFTTCDUYQZKH-XCZNYUDNSA-N
MW124.19 g/mol
LogP1.68
Rot. Bonds3

About (Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine

(Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine (PubChem CID 139551607) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine
PubChem CID139551607
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine
SMILESC=N/C=C(C)\C=N\CC
InChIInChI=1S/C7H12N2/c1-4-9-6-7(2)5-8-3/h5-6H,3-4H2,1-2H3/b7-5-,9-6+
InChIKeyYUDFTTCDUYQZKH-XCZNYUDNSA-N
XLogP1.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-ethyl-2-methyl-N'-methylideneprop-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 (Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine?
The IUPAC name of (Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine (CID 139551607) is (Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine.
What is the SMILES notation for (Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine?
The canonical SMILES for (Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine is C=N/C=C(C)\C=N\CC.
What is the InChIKey of (Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine?
The InChIKey is YUDFTTCDUYQZKH-XCZNYUDNSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-9-6-7(2)5-8-3/h5-6H,3-4H2,1-2H3/b7-5-,9-6+.
What are the key properties of (Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine?
(Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine has a molecular weight of 124.19 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine is sourced from PubChem (CID 139551607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).