N-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine

C25H32N2 — CID 70190206

IUPACN-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine
SMILESCC/C=C/CCc1ccc(C=NN=Cc2ccc(CCCCC)cc2)cc1
InChIInChI=1S/C25H32N2/c1-3-5-7-9-11-23-14-18-25(19-15-23)21-27-26-20-24-16-12-22(13-17-24)10-8-6-4-2/h5,7,12-21H,3-4,6,8-11H2,1-2H3/b7-5+,26-20?,27-21?
InChIKeyNNBPFVGVUKXFTK-MGLDQDCTSA-N
MW360.55 g/mol
LogP6.77
Rot. Bonds11

About N-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine

N-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine (PubChem CID 70190206) has the molecular formula C25H32N2 and a molecular weight of 360.55 g/mol. Its IUPAC name is N-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine.

Molecular Properties

Compound NameN-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine
PubChem CID70190206
Molecular FormulaC25H32N2
Molecular Weight360.55 g/mol
Exact Mass360.26
IUPAC NameN-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine
SMILESCC/C=C/CCc1ccc(C=NN=Cc2ccc(CCCCC)cc2)cc1
InChIInChI=1S/C25H32N2/c1-3-5-7-9-11-23-14-18-25(19-15-23)21-27-26-20-24-16-12-22(13-17-24)10-8-6-4-2/h5,7,12-21H,3-4,6,8-11H2,1-2H3/b7-5+,26-20?,27-21?
InChIKeyNNBPFVGVUKXFTK-MGLDQDCTSA-N
XLogP6.77
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.55
LogP ≤ 56.77
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

(E)-1-(4-heptylphenyl)-N-[(E)-[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine
CID 19368303
N-[(4-chlorophenyl)methylideneamino]-1-(4-hex-3-enylphenyl)methanimine
CID 54560984
1-butyl-4-[(E)-hex-3-enyl]benzene
CID 91565101
(E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 20845118
N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
CID 54210930
1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine
CID 140983623
N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 54337056
2-[(E)-(4-octylphenyl)methylideneamino]guanidine
CID 166950257
(E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368301
(E)-N-[(E)-(4-ethyl-3-fluorophenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368563
1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
CID 71385175
1-(4-methylphenyl)-N-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine
CID 70190165

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine?
The IUPAC name of N-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine (CID 70190206) is N-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine.
What is the SMILES notation for N-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine?
The canonical SMILES for N-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine is CC/C=C/CCc1ccc(C=NN=Cc2ccc(CCCCC)cc2)cc1.
What is the InChIKey of N-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine?
The InChIKey is NNBPFVGVUKXFTK-MGLDQDCTSA-N. The full InChI is InChI=1S/C25H32N2/c1-3-5-7-9-11-23-14-18-25(19-15-23)21-27-26-20-24-16-12-22(13-17-24)10-8-6-4-2/h5,7,12-21H,3-4,6,8-11H2,1-2H3/b7-5+,26-20?,27-21?.
What are the key properties of N-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine?
N-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine has a molecular weight of 360.55 g/mol, XLogP of 6.77, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine is sourced from PubChem (CID 70190206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).