N-[(4-hept-6-enylphenyl)methylideneamino]-1-(4-heptylcyclohexyl)-1-phenylmethanimine

C34H48N2 — CID 173276365

IUPACN-[(4-hept-6-enylphenyl)methylideneamino]-1-(4-heptylcyclohexyl)-1-phenylmethanimine
SMILESC=CCCCCCc1ccc(C=NN=C(c2ccccc2)C2CCC(CCCCCCC)CC2)cc1
InChIInChI=1S/C34H48N2/c1-3-5-7-9-12-16-29-20-22-31(23-21-29)28-35-36-34(32-18-14-11-15-19-32)33-26-24-30(25-27-33)17-13-10-8-6-4-2/h3,11,14-15,18-23,28,30,33H,1,4-10,12-13,16-17,24-27H2,2H3
InChIKeyGHGWJGIJFJEIGK-UHFFFAOYSA-N
MW484.77 g/mol
LogP9.97
Rot. Bonds16

About N-[(4-hept-6-enylphenyl)methylideneamino]-1-(4-heptylcyclohexyl)-1-phenylmethanimine

N-[(4-hept-6-enylphenyl)methylideneamino]-1-(4-heptylcyclohexyl)-1-phenylmethanimine (PubChem CID 173276365) has the molecular formula C34H48N2 and a molecular weight of 484.77 g/mol. Its IUPAC name is N-[(4-hept-6-enylphenyl)methylideneamino]-1-(4-heptylcyclohexyl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-[(4-hept-6-enylphenyl)methylideneamino]-1-(4-heptylcyclohexyl)-1-phenylmethanimine
PubChem CID173276365
Molecular FormulaC34H48N2
Molecular Weight484.77 g/mol
Exact Mass484.38
IUPAC NameN-[(4-hept-6-enylphenyl)methylideneamino]-1-(4-heptylcyclohexyl)-1-phenylmethanimine
SMILESC=CCCCCCc1ccc(C=NN=C(c2ccccc2)C2CCC(CCCCCCC)CC2)cc1
InChIInChI=1S/C34H48N2/c1-3-5-7-9-12-16-29-20-22-31(23-21-29)28-35-36-34(32-18-14-11-15-19-32)33-26-24-30(25-27-33)17-13-10-8-6-4-2/h3,11,14-15,18-23,28,30,33H,1,4-10,12-13,16-17,24-27H2,2H3
InChIKeyGHGWJGIJFJEIGK-UHFFFAOYSA-N
XLogP9.97
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.77
LogP ≤ 59.97
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-phenyl-1-(4-propylcyclohexyl)methanimine
CID 173276692
N-[(4-butylphenyl)methylideneamino]-1-(4-pentylcyclohexyl)-1-phenylmethanimine
CID 173276579
1-[2-(4-decylcyclohexyl)ethyl]-4-[2-(4-oct-7-enylphenyl)ethynyl]benzene
CID 139787889
1-[4-(2-fluoropropyl)phenyl]-N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenylmethanimine
CID 173276645
1-decyl-4-hex-5-enylbenzene
CID 91529966
1-decyl-4-oct-7-enylbenzene
CID 91553239
1-(4-hept-6-enylphenyl)-N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]methanimine
CID 54210289
2-[(E)-(4-octylphenyl)methylideneamino]guanidine
CID 166950257
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
2-(4-pent-4-enylcyclohexyl)ethylbenzene
CID 56624486
4-[4-(4-pentylcyclohexyl)butyl]phenol
CID 19371124
N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]-1-(4-hept-6-enylphenyl)methanimine
CID 54176611

Frequently Asked Questions

What is the IUPAC name of N-[(4-hept-6-enylphenyl)methylideneamino]-1-(4-heptylcyclohexyl)-1-phenylmethanimine?
The IUPAC name of N-[(4-hept-6-enylphenyl)methylideneamino]-1-(4-heptylcyclohexyl)-1-phenylmethanimine (CID 173276365) is N-[(4-hept-6-enylphenyl)methylideneamino]-1-(4-heptylcyclohexyl)-1-phenylmethanimine.
What is the SMILES notation for N-[(4-hept-6-enylphenyl)methylideneamino]-1-(4-heptylcyclohexyl)-1-phenylmethanimine?
The canonical SMILES for N-[(4-hept-6-enylphenyl)methylideneamino]-1-(4-heptylcyclohexyl)-1-phenylmethanimine is C=CCCCCCc1ccc(C=NN=C(c2ccccc2)C2CCC(CCCCCCC)CC2)cc1.
What is the InChIKey of N-[(4-hept-6-enylphenyl)methylideneamino]-1-(4-heptylcyclohexyl)-1-phenylmethanimine?
The InChIKey is GHGWJGIJFJEIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48N2/c1-3-5-7-9-12-16-29-20-22-31(23-21-29)28-35-36-34(32-18-14-11-15-19-32)33-26-24-30(25-27-33)17-13-10-8-6-4-2/h3,11,14-15,18-23,28,30,33H,1,4-10,12-13,16-17,24-27H2,2H3.
What are the key properties of N-[(4-hept-6-enylphenyl)methylideneamino]-1-(4-heptylcyclohexyl)-1-phenylmethanimine?
N-[(4-hept-6-enylphenyl)methylideneamino]-1-(4-heptylcyclohexyl)-1-phenylmethanimine has a molecular weight of 484.77 g/mol, XLogP of 9.97, 16 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-(4-heptylcyclohexyl)-1-phenylmethanimine is sourced from PubChem (CID 173276365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).