3-N-methyl-1-N-methylidenepent-1-ene-1,3-diimine

C7H12N2 — CID 123361832

IUPAC3-N-methyl-1-N-methylidenepent-1-ene-1,3-diimine
SMILESC=NC=C/C(CC)=N/C
InChIInChI=1S/C7H12N2/c1-4-7(9-3)5-6-8-2/h5-6H,2,4H2,1,3H3/b6-5?,9-7+
InChIKeyWGWQQVQRWKJAIV-VFEDGGCQSA-N
MW124.19 g/mol
LogP1.68
Rot. Bonds3

About 3-N-methyl-1-N-methylidenepent-1-ene-1,3-diimine

3-N-methyl-1-N-methylidenepent-1-ene-1,3-diimine (PubChem CID 123361832) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3-N-methyl-1-N-methylidenepent-1-ene-1,3-diimine.

Molecular Properties

Compound Name3-N-methyl-1-N-methylidenepent-1-ene-1,3-diimine
PubChem CID123361832
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3-N-methyl-1-N-methylidenepent-1-ene-1,3-diimine
SMILESC=NC=C/C(CC)=N/C
InChIInChI=1S/C7H12N2/c1-4-7(9-3)5-6-8-2/h5-6H,2,4H2,1,3H3/b6-5?,9-7+
InChIKeyWGWQQVQRWKJAIV-VFEDGGCQSA-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 3-N-methyl-1-N-methylidenepent-1-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 3-N-methyl-1-N-methylidenepent-1-ene-1,3-diimine?
The IUPAC name of 3-N-methyl-1-N-methylidenepent-1-ene-1,3-diimine (CID 123361832) is 3-N-methyl-1-N-methylidenepent-1-ene-1,3-diimine.
What is the SMILES notation for 3-N-methyl-1-N-methylidenepent-1-ene-1,3-diimine?
The canonical SMILES for 3-N-methyl-1-N-methylidenepent-1-ene-1,3-diimine is C=NC=C/C(CC)=N/C.
What is the InChIKey of 3-N-methyl-1-N-methylidenepent-1-ene-1,3-diimine?
The InChIKey is WGWQQVQRWKJAIV-VFEDGGCQSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-7(9-3)5-6-8-2/h5-6H,2,4H2,1,3H3/b6-5?,9-7+.
What are the key properties of 3-N-methyl-1-N-methylidenepent-1-ene-1,3-diimine?
3-N-methyl-1-N-methylidenepent-1-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 3-N-methyl-1-N-methylidenepent-1-ene-1,3-diimine is sourced from PubChem (CID 123361832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).