1-(4-methylphenyl)-N-[3-[(4-methylphenyl)methylideneamino]propyl]methanimine

C19H22N2 — CID 11119419

IUPAC1-(4-methylphenyl)-N-[3-[(4-methylphenyl)methylideneamino]propyl]methanimine
SMILESCc1ccc(/C=N/CCC/N=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2/c1-16-4-8-18(9-5-16)14-20-12-3-13-21-15-19-10-6-17(2)7-11-19/h4-11,14-15H,3,12-13H2,1-2H3/b20-14+,21-15+
InChIKeyIUPZPONRHMBNBL-OZNQKUEASA-N
MW278.40 g/mol
LogP4.23
Rot. Bonds6

About 1-(4-methylphenyl)-N-[3-[(4-methylphenyl)methylideneamino]propyl]methanimine

1-(4-methylphenyl)-N-[3-[(4-methylphenyl)methylideneamino]propyl]methanimine (PubChem CID 11119419) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[3-[(4-methylphenyl)methylideneamino]propyl]methanimine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[3-[(4-methylphenyl)methylideneamino]propyl]methanimine
PubChem CID11119419
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name1-(4-methylphenyl)-N-[3-[(4-methylphenyl)methylideneamino]propyl]methanimine
SMILESCc1ccc(/C=N/CCC/N=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2/c1-16-4-8-18(9-5-16)14-20-12-3-13-21-15-19-10-6-17(2)7-11-19/h4-11,14-15H,3,12-13H2,1-2H3/b20-14+,21-15+
InChIKeyIUPZPONRHMBNBL-OZNQKUEASA-N
XLogP4.23
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-methylphenyl)-N-[3-[(4-methylphenyl)methylideneamino]propyl]methanimine 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-(4-methylphenyl)-N-[3-[(4-methylphenyl)methylideneamino]propyl]methanimine?
The IUPAC name of 1-(4-methylphenyl)-N-[3-[(4-methylphenyl)methylideneamino]propyl]methanimine (CID 11119419) is 1-(4-methylphenyl)-N-[3-[(4-methylphenyl)methylideneamino]propyl]methanimine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[3-[(4-methylphenyl)methylideneamino]propyl]methanimine?
The canonical SMILES for 1-(4-methylphenyl)-N-[3-[(4-methylphenyl)methylideneamino]propyl]methanimine is Cc1ccc(/C=N/CCC/N=C/c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[3-[(4-methylphenyl)methylideneamino]propyl]methanimine?
The InChIKey is IUPZPONRHMBNBL-OZNQKUEASA-N. The full InChI is InChI=1S/C19H22N2/c1-16-4-8-18(9-5-16)14-20-12-3-13-21-15-19-10-6-17(2)7-11-19/h4-11,14-15H,3,12-13H2,1-2H3/b20-14+,21-15+.
What are the key properties of 1-(4-methylphenyl)-N-[3-[(4-methylphenyl)methylideneamino]propyl]methanimine?
1-(4-methylphenyl)-N-[3-[(4-methylphenyl)methylideneamino]propyl]methanimine has a molecular weight of 278.40 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[3-[(4-methylphenyl)methylideneamino]propyl]methanimine is sourced from PubChem (CID 11119419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).