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

C26H32N2 — CID 54452595

IUPACN-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]-1-(4-pent-4-enylphenyl)methanimine
SMILESC=CCCCc1ccc(C=NN=Cc2ccc(C3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C26H32N2/c1-3-4-5-6-22-9-11-23(12-10-22)19-27-28-20-24-13-17-26(18-14-24)25-15-7-21(2)8-16-25/h3,9-14,17-21,25H,1,4-8,15-16H2,2H3
InChIKeyWVZFRTZDAOLTEX-UHFFFAOYSA-N
MW372.56 g/mol
LogP6.94
Rot. Bonds8

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

N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]-1-(4-pent-4-enylphenyl)methanimine (PubChem CID 54452595) has the molecular formula C26H32N2 and a molecular weight of 372.56 g/mol. Its IUPAC name is N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]-1-(4-pent-4-enylphenyl)methanimine.

Molecular Properties

Compound NameN-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]-1-(4-pent-4-enylphenyl)methanimine
PubChem CID54452595
Molecular FormulaC26H32N2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC NameN-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]-1-(4-pent-4-enylphenyl)methanimine
SMILESC=CCCCc1ccc(C=NN=Cc2ccc(C3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C26H32N2/c1-3-4-5-6-22-9-11-23(12-10-22)19-27-28-20-24-13-17-26(18-14-24)25-15-7-21(2)8-16-25/h3,9-14,17-21,25H,1,4-8,15-16H2,2H3
InChIKeyWVZFRTZDAOLTEX-UHFFFAOYSA-N
XLogP6.94
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 56.94
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'}

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Related Compounds

1-(4-hept-6-enylphenyl)-N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]methanimine
CID 54210289
(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-pent-4-enylphenyl)methanimine
CID 19368344
1-ethenyl-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene
CID 20645937
4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline
CID 67733492
1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 59931186
1-(4-methylcyclohexyl)-4-(4-phenylbutyl)benzene;yttrium(3+)
CID 18720895
1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
2-(4-pent-4-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane
CID 139780584
1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene
CID 139749319
1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
CID 161061804
1-(4-methylcyclohexyl)-4-[4-[4-(2-pent-4-enoxyethoxy)phenyl]phenyl]benzene
CID 59499066
acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 91246286

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]-1-(4-pent-4-enylphenyl)methanimine?
The IUPAC name of N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]-1-(4-pent-4-enylphenyl)methanimine (CID 54452595) is N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]-1-(4-pent-4-enylphenyl)methanimine.
What is the SMILES notation for N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]-1-(4-pent-4-enylphenyl)methanimine?
The canonical SMILES for N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]-1-(4-pent-4-enylphenyl)methanimine is C=CCCCc1ccc(C=NN=Cc2ccc(C3CCC(C)CC3)cc2)cc1.
What is the InChIKey of N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]-1-(4-pent-4-enylphenyl)methanimine?
The InChIKey is WVZFRTZDAOLTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2/c1-3-4-5-6-22-9-11-23(12-10-22)19-27-28-20-24-13-17-26(18-14-24)25-15-7-21(2)8-16-25/h3,9-14,17-21,25H,1,4-8,15-16H2,2H3.
What are the key properties of N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]-1-(4-pent-4-enylphenyl)methanimine?
N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]-1-(4-pent-4-enylphenyl)methanimine has a molecular weight of 372.56 g/mol, XLogP of 6.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]-1-(4-pent-4-enylphenyl)methanimine is sourced from PubChem (CID 54452595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).