1-N-methyl-2-N-methylideneprop-2-ene-1,2-diimine

C5H8N2 — CID 142896594

IUPAC1-N-methyl-2-N-methylideneprop-2-ene-1,2-diimine
SMILESC=NC(=C)/C=N/C
InChIInChI=1S/C5H8N2/c1-5(7-3)4-6-2/h4H,1,3H2,2H3/b6-4+
InChIKeyNZJGCIKHFSWYEY-GQCTYLIASA-N
MW96.13 g/mol
LogP0.90
Rot. Bonds2

About 1-N-methyl-2-N-methylideneprop-2-ene-1,2-diimine

1-N-methyl-2-N-methylideneprop-2-ene-1,2-diimine (PubChem CID 142896594) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 1-N-methyl-2-N-methylideneprop-2-ene-1,2-diimine.

Molecular Properties

Compound Name1-N-methyl-2-N-methylideneprop-2-ene-1,2-diimine
PubChem CID142896594
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name1-N-methyl-2-N-methylideneprop-2-ene-1,2-diimine
SMILESC=NC(=C)/C=N/C
InChIInChI=1S/C5H8N2/c1-5(7-3)4-6-2/h4H,1,3H2,2H3/b6-4+
InChIKeyNZJGCIKHFSWYEY-GQCTYLIASA-N
XLogP0.90
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-methyl-2-N-methylideneprop-2-ene-1,2-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 1-N-methyl-2-N-methylideneprop-2-ene-1,2-diimine?
The IUPAC name of 1-N-methyl-2-N-methylideneprop-2-ene-1,2-diimine (CID 142896594) is 1-N-methyl-2-N-methylideneprop-2-ene-1,2-diimine.
What is the SMILES notation for 1-N-methyl-2-N-methylideneprop-2-ene-1,2-diimine?
The canonical SMILES for 1-N-methyl-2-N-methylideneprop-2-ene-1,2-diimine is C=NC(=C)/C=N/C.
What is the InChIKey of 1-N-methyl-2-N-methylideneprop-2-ene-1,2-diimine?
The InChIKey is NZJGCIKHFSWYEY-GQCTYLIASA-N. The full InChI is InChI=1S/C5H8N2/c1-5(7-3)4-6-2/h4H,1,3H2,2H3/b6-4+.
What are the key properties of 1-N-methyl-2-N-methylideneprop-2-ene-1,2-diimine?
1-N-methyl-2-N-methylideneprop-2-ene-1,2-diimine has a molecular weight of 96.13 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-2-N-methylideneprop-2-ene-1,2-diimine is sourced from PubChem (CID 142896594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).