(E)-N,N'-diphenylpent-2-ene-1,5-diimine;hydrochloride

C17H17ClN2 — CID 6437617

IUPAC(E)-N,N'-diphenylpent-2-ene-1,5-diimine;hydrochloride
SMILESC(=C/C/C=N/c1ccccc1)\C=N\c1ccccc1.Cl
InChIInChI=1S/C17H16N2.ClH/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17;/h1-8,10-15H,9H2;1H/b8-3+,18-14+,19-15+;
InChIKeyJWYFJOIJMPZWDB-CADPLVDMSA-N
MW284.79 g/mol
LogP5.16
Rot. Bonds5

About (E)-N,N'-diphenylpent-2-ene-1,5-diimine;hydrochloride

(E)-N,N'-diphenylpent-2-ene-1,5-diimine;hydrochloride (PubChem CID 6437617) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is (E)-N,N'-diphenylpent-2-ene-1,5-diimine;hydrochloride.

Molecular Properties

Compound Name(E)-N,N'-diphenylpent-2-ene-1,5-diimine;hydrochloride
PubChem CID6437617
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name(E)-N,N'-diphenylpent-2-ene-1,5-diimine;hydrochloride
SMILESC(=C/C/C=N/c1ccccc1)\C=N\c1ccccc1.Cl
InChIInChI=1S/C17H16N2.ClH/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17;/h1-8,10-15H,9H2;1H/b8-3+,18-14+,19-15+;
InChIKeyJWYFJOIJMPZWDB-CADPLVDMSA-N
XLogP5.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.79
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Benzylideneaniline
CID 10858
Benzenamine, N-(5-(phenylamino)-2,4-pentadien-1-ylidene)-, hydrochloride (1:1)
CID 5702667
N-(3-Phenyl-2-propenylidene)aniline
CID 291034
N-cyclohexylideneaniline
CID 315516
N-Cinnamylideneaniline
CID 5375816
N,N'-(1E,3E,5E)-penta-1,3-dien-1-yl-5-ylidenedianiline
CID 5368838
Benzenaminium, N-methyl-N-(5-(methylphenylamino)-2,4-pentadien-1-ylidene)-, chloride (1:1)
CID 6433590
Benzenamine, N-(4-((1,3-dimethylbutyl)imino)-2,5-cyclohexadien-1-ylidene)-
CID 10220983
N-Heptylidenebenzenamine
CID 107536
N,N'-Propanediylidenedianiline
CID 111090
Benzenamine, N-butylidene-
CID 94851
N-(5-(phenylamino)penta-2,5-dienylidene)aniline monohydrochloride
CID 73902

Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-diphenylpent-2-ene-1,5-diimine;hydrochloride?
The IUPAC name of (E)-N,N'-diphenylpent-2-ene-1,5-diimine;hydrochloride (CID 6437617) is (E)-N,N'-diphenylpent-2-ene-1,5-diimine;hydrochloride.
What is the SMILES notation for (E)-N,N'-diphenylpent-2-ene-1,5-diimine;hydrochloride?
The canonical SMILES for (E)-N,N'-diphenylpent-2-ene-1,5-diimine;hydrochloride is C(=C/C/C=N/c1ccccc1)\C=N\c1ccccc1.Cl.
What is the InChIKey of (E)-N,N'-diphenylpent-2-ene-1,5-diimine;hydrochloride?
The InChIKey is JWYFJOIJMPZWDB-CADPLVDMSA-N. The full InChI is InChI=1S/C17H16N2.ClH/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17;/h1-8,10-15H,9H2;1H/b8-3+,18-14+,19-15+;.
What are the key properties of (E)-N,N'-diphenylpent-2-ene-1,5-diimine;hydrochloride?
(E)-N,N'-diphenylpent-2-ene-1,5-diimine;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-diphenylpent-2-ene-1,5-diimine;hydrochloride is sourced from PubChem (CID 6437617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).