N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine

C31H35FN2 — CID 54176611

IUPACN-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine
SMILESC=CCCCCCc1ccc(C=NN=Cc2ccc(-c3ccc(CCCC)cc3)c(F)c2)cc1
InChIInChI=1S/C31H35FN2/c1-3-5-7-8-9-11-26-12-14-27(15-13-26)23-33-34-24-28-18-21-30(31(32)22-28)29-19-16-25(17-20-29)10-6-4-2/h3,12-24H,1,4-11H2,2H3
InChIKeyOYVJDDQUVWTSAM-UHFFFAOYSA-N
MW454.63 g/mol
LogP8.58
Rot. Bonds13

About N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine

N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine (PubChem CID 54176611) has the molecular formula C31H35FN2 and a molecular weight of 454.63 g/mol. Its IUPAC name is N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine.

Molecular Properties

Compound NameN-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine
PubChem CID54176611
Molecular FormulaC31H35FN2
Molecular Weight454.63 g/mol
Exact Mass454.28
IUPAC NameN-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine
SMILESC=CCCCCCc1ccc(C=NN=Cc2ccc(-c3ccc(CCCC)cc3)c(F)c2)cc1
InChIInChI=1S/C31H35FN2/c1-3-5-7-8-9-11-26-12-14-27(15-13-26)23-33-34-24-28-18-21-30(31(32)22-28)29-19-16-25(17-20-29)10-6-4-2/h3,12-24H,1,4-11H2,2H3
InChIKeyOYVJDDQUVWTSAM-UHFFFAOYSA-N
XLogP8.58
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.63
LogP ≤ 58.58
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)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-(4-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine
CID 54260600
1-[3-fluoro-4-(4-pentylphenyl)phenyl]-N-[(2-hex-5-enylphenyl)methylideneamino]methanimine
CID 70188436
N-[(2-but-3-enylphenyl)methylideneamino]-1-[3-fluoro-4-(4-heptylphenyl)phenyl]methanimine
CID 70188653
1-(4-but-3-enylphenyl)-N-[[4-(4-ethylphenyl)-3-fluorophenyl]methylideneamino]methanimine
CID 54082763
1-[4-(4-ethylphenyl)-3-fluorophenyl]-N-[(2-hept-6-enylphenyl)methylideneamino]methanimine
CID 70191067
1-(4-but-3-enylphenyl)-N-[[4-(2-fluoro-4-methylphenyl)phenyl]methylideneamino]methanimine
CID 54281249
N-[(2-ethylphenyl)methylideneamino]-1-[3-fluoro-4-(4-pentylphenyl)phenyl]methanimine
CID 70190968
(E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368301
1-[4-(4-ethylphenyl)-3-fluorophenyl]-N-[(2-hexylphenyl)methylideneamino]methanimine
CID 70188686
N-[(3,4-difluorophenyl)methylideneamino]-1-[4-(4-ethyl-2-fluorophenyl)phenyl]methanimine
CID 54129002
(E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368563
1-(4-butylphenyl)-N-[(4-ethyl-3,5-difluorophenyl)methylideneamino]methanimine
CID 54200575

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine?
The IUPAC name of N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine (CID 54176611) is N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine.
What is the SMILES notation for N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine?
The canonical SMILES for N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine is C=CCCCCCc1ccc(C=NN=Cc2ccc(-c3ccc(CCCC)cc3)c(F)c2)cc1.
What is the InChIKey of N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine?
The InChIKey is OYVJDDQUVWTSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35FN2/c1-3-5-7-8-9-11-26-12-14-27(15-13-26)23-33-34-24-28-18-21-30(31(32)22-28)29-19-16-25(17-20-29)10-6-4-2/h3,12-24H,1,4-11H2,2H3.
What are the key properties of N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine?
N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine has a molecular weight of 454.63 g/mol, XLogP of 8.58, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine is sourced from PubChem (CID 54176611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).