N-[(1E,4Z)-2-ethenyl-1-phenylhexa-1,4-dienyl]methanimine

C15H17N — CID 144631857

IUPACN-[(1E,4Z)-2-ethenyl-1-phenylhexa-1,4-dienyl]methanimine
SMILESC=C/C(C/C=C\C)=C(/N=C)c1ccccc1
InChIInChI=1S/C15H17N/c1-4-6-10-13(5-2)15(16-3)14-11-8-7-9-12-14/h4-9,11-12H,2-3,10H2,1H3/b6-4-,15-13-
InChIKeyHRLTZDTURIUVTG-OOBBZECWSA-N
MW211.31 g/mol
LogP4.25
Rot. Bonds5

About N-[(1E,4Z)-2-ethenyl-1-phenylhexa-1,4-dienyl]methanimine

N-[(1E,4Z)-2-ethenyl-1-phenylhexa-1,4-dienyl]methanimine (PubChem CID 144631857) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[(1E,4Z)-2-ethenyl-1-phenylhexa-1,4-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,4Z)-2-ethenyl-1-phenylhexa-1,4-dienyl]methanimine
PubChem CID144631857
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC NameN-[(1E,4Z)-2-ethenyl-1-phenylhexa-1,4-dienyl]methanimine
SMILESC=C/C(C/C=C\C)=C(/N=C)c1ccccc1
InChIInChI=1S/C15H17N/c1-4-6-10-13(5-2)15(16-3)14-11-8-7-9-12-14/h4-9,11-12H,2-3,10H2,1H3/b6-4-,15-13-
InChIKeyHRLTZDTURIUVTG-OOBBZECWSA-N
XLogP4.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Benzyl Isothiocyanate
CID 2346
(1-Isothiocyanatoethyl)benzene
CID 20559
Benzenamine, 2-ethyl-6-methyl-N-methylene-
CID 118784
Benzenamine, 2,6-diethyl-N-methylene-
CID 93179
Benzyltrimethylammonium
CID 5964
1-(Isothiocyanatomethyl)-4-methylbenzene
CID 19409
(R)-1-Phenylethyl isothiocyanate
CID 7015180
(S)-(-)-1-Phenylethyl isocyanate
CID 2724173
(R)-(+)-1-Phenylethyl isocyanate
CID 7018262
Benzyl Isoselenocyanate
CID 12506035
(1-Isocyanoethyl)benzene
CID 519905
[(1S)-1-isothiocyanatoethyl]benzene
CID 737164

Frequently Asked Questions

What is the IUPAC name of N-[(1E,4Z)-2-ethenyl-1-phenylhexa-1,4-dienyl]methanimine?
The IUPAC name of N-[(1E,4Z)-2-ethenyl-1-phenylhexa-1,4-dienyl]methanimine (CID 144631857) is N-[(1E,4Z)-2-ethenyl-1-phenylhexa-1,4-dienyl]methanimine.
What is the SMILES notation for N-[(1E,4Z)-2-ethenyl-1-phenylhexa-1,4-dienyl]methanimine?
The canonical SMILES for N-[(1E,4Z)-2-ethenyl-1-phenylhexa-1,4-dienyl]methanimine is C=C/C(C/C=C\C)=C(/N=C)c1ccccc1.
What is the InChIKey of N-[(1E,4Z)-2-ethenyl-1-phenylhexa-1,4-dienyl]methanimine?
The InChIKey is HRLTZDTURIUVTG-OOBBZECWSA-N. The full InChI is InChI=1S/C15H17N/c1-4-6-10-13(5-2)15(16-3)14-11-8-7-9-12-14/h4-9,11-12H,2-3,10H2,1H3/b6-4-,15-13-.
What are the key properties of N-[(1E,4Z)-2-ethenyl-1-phenylhexa-1,4-dienyl]methanimine?
N-[(1E,4Z)-2-ethenyl-1-phenylhexa-1,4-dienyl]methanimine has a molecular weight of 211.31 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,4Z)-2-ethenyl-1-phenylhexa-1,4-dienyl]methanimine is sourced from PubChem (CID 144631857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).