1-(4-hept-6-enylphenyl)-N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]methanimine

C28H36N2 — CID 54210289

IUPAC1-(4-hept-6-enylphenyl)-N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]methanimine
SMILESC=CCCCCCc1ccc(C=NN=Cc2ccc(C3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C28H36N2/c1-3-4-5-6-7-8-24-11-13-25(14-12-24)21-29-30-22-26-15-19-28(20-16-26)27-17-9-23(2)10-18-27/h3,11-16,19-23,27H,1,4-10,17-18H2,2H3
InChIKeyPVMISPIVLLYDQG-UHFFFAOYSA-N
MW400.61 g/mol
LogP7.72
Rot. Bonds10

About 1-(4-hept-6-enylphenyl)-N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]methanimine

1-(4-hept-6-enylphenyl)-N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]methanimine (PubChem CID 54210289) has the molecular formula C28H36N2 and a molecular weight of 400.61 g/mol. Its IUPAC name is 1-(4-hept-6-enylphenyl)-N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]methanimine.

Molecular Properties

Compound Name1-(4-hept-6-enylphenyl)-N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]methanimine
PubChem CID54210289
Molecular FormulaC28H36N2
Molecular Weight400.61 g/mol
Exact Mass400.29
IUPAC Name1-(4-hept-6-enylphenyl)-N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]methanimine
SMILESC=CCCCCCc1ccc(C=NN=Cc2ccc(C3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C28H36N2/c1-3-4-5-6-7-8-24-11-13-25(14-12-24)21-29-30-22-26-15-19-28(20-16-26)27-17-9-23(2)10-18-27/h3,11-16,19-23,27H,1,4-10,17-18H2,2H3
InChIKeyPVMISPIVLLYDQG-UHFFFAOYSA-N
XLogP7.72
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.61
LogP ≤ 57.72
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 1-(4-hept-6-enylphenyl)-N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]methanimine with MolForge

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Related Compounds

N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]-1-(4-pent-4-enylphenyl)methanimine
CID 54452595
1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 59931186
1-ethenyl-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene
CID 20645937
(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-pent-4-enylphenyl)methanimine
CID 19368344
N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine
CID 54176611
1-(4-methylcyclohexyl)-4-(4-phenylbutyl)benzene;yttrium(3+)
CID 18720895
1-decyl-4-hex-5-enylbenzene
CID 91529966
1-decyl-4-oct-7-enylbenzene
CID 91553239
4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline
CID 67733492
N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenyl-1-(4-propylcyclohexyl)methanimine
CID 173276692
2-(4-hex-5-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane
CID 139780813
N-[(4-hept-6-enylphenyl)methylideneamino]-1-(4-heptylcyclohexyl)-1-phenylmethanimine
CID 173276365

Frequently Asked Questions

What is the IUPAC name of 1-(4-hept-6-enylphenyl)-N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]methanimine?
The IUPAC name of 1-(4-hept-6-enylphenyl)-N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]methanimine (CID 54210289) is 1-(4-hept-6-enylphenyl)-N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]methanimine.
What is the SMILES notation for 1-(4-hept-6-enylphenyl)-N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]methanimine?
The canonical SMILES for 1-(4-hept-6-enylphenyl)-N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]methanimine is C=CCCCCCc1ccc(C=NN=Cc2ccc(C3CCC(C)CC3)cc2)cc1.
What is the InChIKey of 1-(4-hept-6-enylphenyl)-N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]methanimine?
The InChIKey is PVMISPIVLLYDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2/c1-3-4-5-6-7-8-24-11-13-25(14-12-24)21-29-30-22-26-15-19-28(20-16-26)27-17-9-23(2)10-18-27/h3,11-16,19-23,27H,1,4-10,17-18H2,2H3.
What are the key properties of 1-(4-hept-6-enylphenyl)-N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]methanimine?
1-(4-hept-6-enylphenyl)-N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]methanimine has a molecular weight of 400.61 g/mol, XLogP of 7.72, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hept-6-enylphenyl)-N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]methanimine is sourced from PubChem (CID 54210289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).