N-[(4-chlorophenyl)methylideneamino]-1-(4-hex-3-enylphenyl)methanimine

C20H21ClN2 — CID 54560984

IUPACN-[(4-chlorophenyl)methylideneamino]-1-(4-hex-3-enylphenyl)methanimine
SMILESCCC=CCCc1ccc(C=NN=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN2/c1-2-3-4-5-6-17-7-9-18(10-8-17)15-22-23-16-19-11-13-20(21)14-12-19/h3-4,7-16H,2,5-6H2,1H3
InChIKeyZQNJDUGSMDTIHF-UHFFFAOYSA-N
MW324.86 g/mol
LogP5.69
Rot. Bonds7

About N-[(4-chlorophenyl)methylideneamino]-1-(4-hex-3-enylphenyl)methanimine

N-[(4-chlorophenyl)methylideneamino]-1-(4-hex-3-enylphenyl)methanimine (PubChem CID 54560984) has the molecular formula C20H21ClN2 and a molecular weight of 324.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-1-(4-hex-3-enylphenyl)methanimine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-1-(4-hex-3-enylphenyl)methanimine
PubChem CID54560984
Molecular FormulaC20H21ClN2
Molecular Weight324.86 g/mol
Exact Mass324.14
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-1-(4-hex-3-enylphenyl)methanimine
SMILESCCC=CCCc1ccc(C=NN=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN2/c1-2-3-4-5-6-17-7-9-18(10-8-17)15-22-23-16-19-11-13-20(21)14-12-19/h3-4,7-16H,2,5-6H2,1H3
InChIKeyZQNJDUGSMDTIHF-UHFFFAOYSA-N
XLogP5.69
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.86
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-chloro-4-[(E)-hex-3-enyl]benzene
CID 57078477
N-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine
CID 70190206
N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
CID 54210930
1-(4-methylphenyl)-N-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine
CID 70190165
1-[(E)-4-bromobut-3-enyl]-4-chlorobenzene
CID 18958990
(E)-1-(4-heptylphenyl)-N-[(E)-[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine
CID 19368303
1-butyl-4-[(E)-hex-3-enyl]benzene
CID 91565101
7-(4-chlorophenyl)hept-4-enal
CID 91303083
(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-chlorophenyl)methanimine
CID 19368363
4-chloro-2-fluoro-1-[2-(4-hex-3-enylphenyl)ethynyl]benzene
CID 139730157
1-(4-chlorophenyl)-N-ethylmethanimine
CID 12927004
3-(4-chlorophenyl)propanal;ethane
CID 142069464

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-1-(4-hex-3-enylphenyl)methanimine?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-1-(4-hex-3-enylphenyl)methanimine (CID 54560984) is N-[(4-chlorophenyl)methylideneamino]-1-(4-hex-3-enylphenyl)methanimine.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-1-(4-hex-3-enylphenyl)methanimine?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-1-(4-hex-3-enylphenyl)methanimine is CCC=CCCc1ccc(C=NN=Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-1-(4-hex-3-enylphenyl)methanimine?
The InChIKey is ZQNJDUGSMDTIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2/c1-2-3-4-5-6-17-7-9-18(10-8-17)15-22-23-16-19-11-13-20(21)14-12-19/h3-4,7-16H,2,5-6H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-1-(4-hex-3-enylphenyl)methanimine?
N-[(4-chlorophenyl)methylideneamino]-1-(4-hex-3-enylphenyl)methanimine has a molecular weight of 324.86 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-1-(4-hex-3-enylphenyl)methanimine is sourced from PubChem (CID 54560984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).