N-methyl-N'-(2-methylprop-1-enyl)ethane-1,2-diimine

C7H12N2 — CID 142167499

IUPACN-methyl-N'-(2-methylprop-1-enyl)ethane-1,2-diimine
SMILESC/N=C/C=N/C=C(C)C
InChIInChI=1S/C7H12N2/c1-7(2)6-9-5-4-8-3/h4-6H,1-3H3/b8-4+,9-5+
InChIKeyYOVICDIHFOTTOP-KBXRYBNXSA-N
MW124.19 g/mol
LogP1.68
Rot. Bonds2

About N-methyl-N'-(2-methylprop-1-enyl)ethane-1,2-diimine

N-methyl-N'-(2-methylprop-1-enyl)ethane-1,2-diimine (PubChem CID 142167499) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-methyl-N'-(2-methylprop-1-enyl)ethane-1,2-diimine.

Molecular Properties

Compound NameN-methyl-N'-(2-methylprop-1-enyl)ethane-1,2-diimine
PubChem CID142167499
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-methyl-N'-(2-methylprop-1-enyl)ethane-1,2-diimine
SMILESC/N=C/C=N/C=C(C)C
InChIInChI=1S/C7H12N2/c1-7(2)6-9-5-4-8-3/h4-6H,1-3H3/b8-4+,9-5+
InChIKeyYOVICDIHFOTTOP-KBXRYBNXSA-N
XLogP1.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 N-methyl-N'-(2-methylprop-1-enyl)ethane-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 N-methyl-N'-(2-methylprop-1-enyl)ethane-1,2-diimine?
The IUPAC name of N-methyl-N'-(2-methylprop-1-enyl)ethane-1,2-diimine (CID 142167499) is N-methyl-N'-(2-methylprop-1-enyl)ethane-1,2-diimine.
What is the SMILES notation for N-methyl-N'-(2-methylprop-1-enyl)ethane-1,2-diimine?
The canonical SMILES for N-methyl-N'-(2-methylprop-1-enyl)ethane-1,2-diimine is C/N=C/C=N/C=C(C)C.
What is the InChIKey of N-methyl-N'-(2-methylprop-1-enyl)ethane-1,2-diimine?
The InChIKey is YOVICDIHFOTTOP-KBXRYBNXSA-N. The full InChI is InChI=1S/C7H12N2/c1-7(2)6-9-5-4-8-3/h4-6H,1-3H3/b8-4+,9-5+.
What are the key properties of N-methyl-N'-(2-methylprop-1-enyl)ethane-1,2-diimine?
N-methyl-N'-(2-methylprop-1-enyl)ethane-1,2-diimine has a molecular weight of 124.19 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(2-methylprop-1-enyl)ethane-1,2-diimine is sourced from PubChem (CID 142167499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).