1-(4-hex-5-enylphenyl)-N-[4-(4-methylphenyl)phenyl]methanimine

C26H27N — CID 139780637

IUPAC1-(4-hex-5-enylphenyl)-N-[4-(4-methylphenyl)phenyl]methanimine
SMILESC=CCCCCc1ccc(/C=N/c2ccc(-c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C26H27N/c1-3-4-5-6-7-22-10-12-23(13-11-22)20-27-26-18-16-25(17-19-26)24-14-8-21(2)9-15-24/h3,8-20H,1,4-7H2,2H3/b27-20+
InChIKeyIGJGIZIUJVSWKN-NHFJDJAPSA-N
MW353.51 g/mol
LogP7.31
Rot. Bonds8

About 1-(4-hex-5-enylphenyl)-N-[4-(4-methylphenyl)phenyl]methanimine

1-(4-hex-5-enylphenyl)-N-[4-(4-methylphenyl)phenyl]methanimine (PubChem CID 139780637) has the molecular formula C26H27N and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-(4-hex-5-enylphenyl)-N-[4-(4-methylphenyl)phenyl]methanimine.

Molecular Properties

Compound Name1-(4-hex-5-enylphenyl)-N-[4-(4-methylphenyl)phenyl]methanimine
PubChem CID139780637
Molecular FormulaC26H27N
Molecular Weight353.51 g/mol
Exact Mass353.21
IUPAC Name1-(4-hex-5-enylphenyl)-N-[4-(4-methylphenyl)phenyl]methanimine
SMILESC=CCCCCc1ccc(/C=N/c2ccc(-c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C26H27N/c1-3-4-5-6-7-22-10-12-23(13-11-22)20-27-26-18-16-25(17-19-26)24-14-8-21(2)9-15-24/h3,8-20H,1,4-7H2,2H3/b27-20+
InChIKeyIGJGIZIUJVSWKN-NHFJDJAPSA-N
XLogP7.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-hex-5-enylphenyl)-N-[4-(4-methylphenyl)phenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-but-3-enylphenyl)-N-(4-methylphenyl)methanimine
CID 67639601
1-hex-5-enyl-4-(4-methylphenyl)benzene
CID 59812350
N-(4-fluorophenyl)-1-(4-pent-4-enylphenyl)methanimine
CID 139780617
1-(4-but-3-enylphenyl)-N-(4-propylphenyl)methanimine
CID 139780766
N,1-bis(4-methylphenyl)methanimine
CID 525721
N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
CID 1284722
1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine
CID 143730274
1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
CID 71385175
1-(4-but-3-enylphenyl)-N-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
CID 139780589
1-hex-5-enyl-4-phenylbenzene
CID 59235470
2,7-bis[4-[(4-pentylphenyl)iminomethyl]phenyl]cyclohepta-2,4,6-trien-1-one
CID 122374779
(E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 20845118

Frequently Asked Questions

What is the IUPAC name of 1-(4-hex-5-enylphenyl)-N-[4-(4-methylphenyl)phenyl]methanimine?
The IUPAC name of 1-(4-hex-5-enylphenyl)-N-[4-(4-methylphenyl)phenyl]methanimine (CID 139780637) is 1-(4-hex-5-enylphenyl)-N-[4-(4-methylphenyl)phenyl]methanimine.
What is the SMILES notation for 1-(4-hex-5-enylphenyl)-N-[4-(4-methylphenyl)phenyl]methanimine?
The canonical SMILES for 1-(4-hex-5-enylphenyl)-N-[4-(4-methylphenyl)phenyl]methanimine is C=CCCCCc1ccc(/C=N/c2ccc(-c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1-(4-hex-5-enylphenyl)-N-[4-(4-methylphenyl)phenyl]methanimine?
The InChIKey is IGJGIZIUJVSWKN-NHFJDJAPSA-N. The full InChI is InChI=1S/C26H27N/c1-3-4-5-6-7-22-10-12-23(13-11-22)20-27-26-18-16-25(17-19-26)24-14-8-21(2)9-15-24/h3,8-20H,1,4-7H2,2H3/b27-20+.
What are the key properties of 1-(4-hex-5-enylphenyl)-N-[4-(4-methylphenyl)phenyl]methanimine?
1-(4-hex-5-enylphenyl)-N-[4-(4-methylphenyl)phenyl]methanimine has a molecular weight of 353.51 g/mol, XLogP of 7.31, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hex-5-enylphenyl)-N-[4-(4-methylphenyl)phenyl]methanimine is sourced from PubChem (CID 139780637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).