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

C30H40N2 — CID 173276692

IUPACN-[(4-hept-6-enylphenyl)methylideneamino]-1-phenyl-1-(4-propylcyclohexyl)methanimine
SMILESC=CCCCCCc1ccc(C=NN=C(c2ccccc2)C2CCC(CCC)CC2)cc1
InChIInChI=1S/C30H40N2/c1-3-5-6-7-9-13-26-16-18-27(19-17-26)24-31-32-30(28-14-10-8-11-15-28)29-22-20-25(12-4-2)21-23-29/h3,8,10-11,14-19,24-25,29H,1,4-7,9,12-13,20-23H2,2H3
InChIKeyGNSDLLJTTRMASV-UHFFFAOYSA-N
MW428.66 g/mol
LogP8.41
Rot. Bonds12

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

N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenyl-1-(4-propylcyclohexyl)methanimine (PubChem CID 173276692) has the molecular formula C30H40N2 and a molecular weight of 428.66 g/mol. Its IUPAC name is N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenyl-1-(4-propylcyclohexyl)methanimine.

Molecular Properties

Compound NameN-[(4-hept-6-enylphenyl)methylideneamino]-1-phenyl-1-(4-propylcyclohexyl)methanimine
PubChem CID173276692
Molecular FormulaC30H40N2
Molecular Weight428.66 g/mol
Exact Mass428.32
IUPAC NameN-[(4-hept-6-enylphenyl)methylideneamino]-1-phenyl-1-(4-propylcyclohexyl)methanimine
SMILESC=CCCCCCc1ccc(C=NN=C(c2ccccc2)C2CCC(CCC)CC2)cc1
InChIInChI=1S/C30H40N2/c1-3-5-6-7-9-13-26-16-18-27(19-17-26)24-31-32-30(28-14-10-8-11-15-28)29-22-20-25(12-4-2)21-23-29/h3,8,10-11,14-19,24-25,29H,1,4-7,9,12-13,20-23H2,2H3
InChIKeyGNSDLLJTTRMASV-UHFFFAOYSA-N
XLogP8.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.66
LogP ≤ 58.41
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

N-[(4-hept-6-enylphenyl)methylideneamino]-1-(4-heptylcyclohexyl)-1-phenylmethanimine
CID 173276365
N-[(4-butylphenyl)methylideneamino]-1-(4-pentylcyclohexyl)-1-phenylmethanimine
CID 173276579
1-[4-(2-fluoropropyl)phenyl]-N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenylmethanimine
CID 173276645
1-(4-hept-6-enylphenyl)-N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]methanimine
CID 54210289
1-[2-(4-decylcyclohexyl)ethyl]-4-[2-(4-oct-7-enylphenyl)ethynyl]benzene
CID 139787889
1-decyl-4-hex-5-enylbenzene
CID 91529966
1-decyl-4-oct-7-enylbenzene
CID 91553239
hept-6-enylbenzene
CID 15608161
N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]-1-(4-pent-4-enylphenyl)methanimine
CID 54452595
N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine
CID 54176611
2-(4-pent-4-enylcyclohexyl)ethylbenzene
CID 56624486
2-[(E)-(4-octylphenyl)methylideneamino]guanidine
CID 166950257

Frequently Asked Questions

What is the IUPAC name of N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenyl-1-(4-propylcyclohexyl)methanimine?
The IUPAC name of N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenyl-1-(4-propylcyclohexyl)methanimine (CID 173276692) is N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenyl-1-(4-propylcyclohexyl)methanimine.
What is the SMILES notation for N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenyl-1-(4-propylcyclohexyl)methanimine?
The canonical SMILES for N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenyl-1-(4-propylcyclohexyl)methanimine is C=CCCCCCc1ccc(C=NN=C(c2ccccc2)C2CCC(CCC)CC2)cc1.
What is the InChIKey of N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenyl-1-(4-propylcyclohexyl)methanimine?
The InChIKey is GNSDLLJTTRMASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2/c1-3-5-6-7-9-13-26-16-18-27(19-17-26)24-31-32-30(28-14-10-8-11-15-28)29-22-20-25(12-4-2)21-23-29/h3,8,10-11,14-19,24-25,29H,1,4-7,9,12-13,20-23H2,2H3.
What are the key properties of N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenyl-1-(4-propylcyclohexyl)methanimine?
N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenyl-1-(4-propylcyclohexyl)methanimine has a molecular weight of 428.66 g/mol, XLogP of 8.41, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenyl-1-(4-propylcyclohexyl)methanimine is sourced from PubChem (CID 173276692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).