(E)-1-(4-tert-butylphenyl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]methanimine

C22H28N2 — CID 6903649

IUPAC(E)-1-(4-tert-butylphenyl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]methanimine
SMILESCC(C)(C)c1ccc(/C=N/N=C/c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H28N2/c1-21(2,3)19-11-7-17(8-12-19)15-23-24-16-18-9-13-20(14-10-18)22(4,5)6/h7-16H,1-6H3/b23-15+,24-16+
InChIKeyJYSFSCJVYPJLDZ-DFEHQXHXSA-N
MW320.48 g/mol
LogP5.73
Rot. Bonds3

About (E)-1-(4-tert-butylphenyl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]methanimine

(E)-1-(4-tert-butylphenyl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]methanimine (PubChem CID 6903649) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (E)-1-(4-tert-butylphenyl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(4-tert-butylphenyl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]methanimine
PubChem CID6903649
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name(E)-1-(4-tert-butylphenyl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]methanimine
SMILESCC(C)(C)c1ccc(/C=N/N=C/c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H28N2/c1-21(2,3)19-11-7-17(8-12-19)15-23-24-16-18-9-13-20(14-10-18)22(4,5)6/h7-16H,1-6H3/b23-15+,24-16+
InChIKeyJYSFSCJVYPJLDZ-DFEHQXHXSA-N
XLogP5.73
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-(4-tert-butylphenyl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]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 (E)-1-(4-tert-butylphenyl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]methanimine?
The IUPAC name of (E)-1-(4-tert-butylphenyl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]methanimine (CID 6903649) is (E)-1-(4-tert-butylphenyl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]methanimine.
What is the SMILES notation for (E)-1-(4-tert-butylphenyl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]methanimine?
The canonical SMILES for (E)-1-(4-tert-butylphenyl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]methanimine is CC(C)(C)c1ccc(/C=N/N=C/c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of (E)-1-(4-tert-butylphenyl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]methanimine?
The InChIKey is JYSFSCJVYPJLDZ-DFEHQXHXSA-N. The full InChI is InChI=1S/C22H28N2/c1-21(2,3)19-11-7-17(8-12-19)15-23-24-16-18-9-13-20(14-10-18)22(4,5)6/h7-16H,1-6H3/b23-15+,24-16+.
What are the key properties of (E)-1-(4-tert-butylphenyl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]methanimine?
(E)-1-(4-tert-butylphenyl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]methanimine has a molecular weight of 320.48 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-tert-butylphenyl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]methanimine is sourced from PubChem (CID 6903649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).