N-[(4-methylphenyl)methyl]-N'-propan-2-ylmethanediimine

C12H16N2 — CID 51341652

IUPACN-[(4-methylphenyl)methyl]-N'-propan-2-ylmethanediimine
SMILESCc1ccc(CN=C=NC(C)C)cc1
InChIInChI=1S/C12H16N2/c1-10(2)14-9-13-8-12-6-4-11(3)5-7-12/h4-7,10H,8H2,1-3H3
InChIKeyBODNQRKREQGDGX-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.08
Rot. Bonds3

About N-[(4-methylphenyl)methyl]-N'-propan-2-ylmethanediimine

N-[(4-methylphenyl)methyl]-N'-propan-2-ylmethanediimine (PubChem CID 51341652) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N'-propan-2-ylmethanediimine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N'-propan-2-ylmethanediimine
PubChem CID51341652
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-[(4-methylphenyl)methyl]-N'-propan-2-ylmethanediimine
SMILESCc1ccc(CN=C=NC(C)C)cc1
InChIInChI=1S/C12H16N2/c1-10(2)14-9-13-8-12-6-4-11(3)5-7-12/h4-7,10H,8H2,1-3H3
InChIKeyBODNQRKREQGDGX-UHFFFAOYSA-N
XLogP3.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-methylphenyl)methyl]-N'-propan-2-ylmethanediimine 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-[(4-methylphenyl)methyl]-N'-propan-2-ylmethanediimine?
The IUPAC name of N-[(4-methylphenyl)methyl]-N'-propan-2-ylmethanediimine (CID 51341652) is N-[(4-methylphenyl)methyl]-N'-propan-2-ylmethanediimine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N'-propan-2-ylmethanediimine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N'-propan-2-ylmethanediimine is Cc1ccc(CN=C=NC(C)C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N'-propan-2-ylmethanediimine?
The InChIKey is BODNQRKREQGDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-10(2)14-9-13-8-12-6-4-11(3)5-7-12/h4-7,10H,8H2,1-3H3.
What are the key properties of N-[(4-methylphenyl)methyl]-N'-propan-2-ylmethanediimine?
N-[(4-methylphenyl)methyl]-N'-propan-2-ylmethanediimine has a molecular weight of 188.27 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N'-propan-2-ylmethanediimine is sourced from PubChem (CID 51341652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).