1-N-methyl-2-N-(2-methylprop-2-enyl)propane-1,2-diimine

C8H14N2 — CID 163826376

IUPAC1-N-methyl-2-N-(2-methylprop-2-enyl)propane-1,2-diimine
SMILESC=C(C)C/N=C(C)/C=N/C
InChIInChI=1S/C8H14N2/c1-7(2)5-10-8(3)6-9-4/h6H,1,5H2,2-4H3/b9-6+,10-8+
InChIKeyNZVHYRUARAPQFR-OAMUUVBCSA-N
MW138.21 g/mol
LogP1.72
Rot. Bonds3

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

1-N-methyl-2-N-(2-methylprop-2-enyl)propane-1,2-diimine (PubChem CID 163826376) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-N-methyl-2-N-(2-methylprop-2-enyl)propane-1,2-diimine.

Molecular Properties

Compound Name1-N-methyl-2-N-(2-methylprop-2-enyl)propane-1,2-diimine
PubChem CID163826376
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-N-methyl-2-N-(2-methylprop-2-enyl)propane-1,2-diimine
SMILESC=C(C)C/N=C(C)/C=N/C
InChIInChI=1S/C8H14N2/c1-7(2)5-10-8(3)6-9-4/h6H,1,5H2,2-4H3/b9-6+,10-8+
InChIKeyNZVHYRUARAPQFR-OAMUUVBCSA-N
XLogP1.72
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-methyl-2-N-(2-methylprop-2-enyl)propane-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-(2-methylprop-2-enyl)propane-1,2-diimine?
The IUPAC name of 1-N-methyl-2-N-(2-methylprop-2-enyl)propane-1,2-diimine (CID 163826376) is 1-N-methyl-2-N-(2-methylprop-2-enyl)propane-1,2-diimine.
What is the SMILES notation for 1-N-methyl-2-N-(2-methylprop-2-enyl)propane-1,2-diimine?
The canonical SMILES for 1-N-methyl-2-N-(2-methylprop-2-enyl)propane-1,2-diimine is C=C(C)C/N=C(C)/C=N/C.
What is the InChIKey of 1-N-methyl-2-N-(2-methylprop-2-enyl)propane-1,2-diimine?
The InChIKey is NZVHYRUARAPQFR-OAMUUVBCSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(2)5-10-8(3)6-9-4/h6H,1,5H2,2-4H3/b9-6+,10-8+.
What are the key properties of 1-N-methyl-2-N-(2-methylprop-2-enyl)propane-1,2-diimine?
1-N-methyl-2-N-(2-methylprop-2-enyl)propane-1,2-diimine has a molecular weight of 138.21 g/mol, XLogP of 1.72, 3 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-(2-methylprop-2-enyl)propane-1,2-diimine is sourced from PubChem (CID 163826376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).