[(2E,4E)-5-anilino-3-methylpenta-2,4-dienylidene]-phenylazanium

C18H19N2+ — CID 58771556

IUPAC[(2E,4E)-5-anilino-3-methylpenta-2,4-dienylidene]-phenylazanium
SMILESCC(/C=C/Nc1ccccc1)=C\C=[NH+]\c1ccccc1
InChIInChI=1S/C18H18N2/c1-16(12-14-19-17-8-4-2-5-9-17)13-15-20-18-10-6-3-7-11-18/h2-15,19H,1H3/p+1/b14-12+,16-13+,20-15+
InChIKeyKUCBDXVMDNTEAT-ZDQRNAQRSA-O
MW263.36 g/mol
LogP3.04
Rot. Bonds5

About [(2E,4E)-5-anilino-3-methylpenta-2,4-dienylidene]-phenylazanium

[(2E,4E)-5-anilino-3-methylpenta-2,4-dienylidene]-phenylazanium (PubChem CID 58771556) has the molecular formula C18H19N2+ and a molecular weight of 263.36 g/mol. Its IUPAC name is [(2E,4E)-5-anilino-3-methylpenta-2,4-dienylidene]-phenylazanium.

Molecular Properties

Compound Name[(2E,4E)-5-anilino-3-methylpenta-2,4-dienylidene]-phenylazanium
PubChem CID58771556
Molecular FormulaC18H19N2+
Molecular Weight263.36 g/mol
Exact Mass263.15
IUPAC Name[(2E,4E)-5-anilino-3-methylpenta-2,4-dienylidene]-phenylazanium
SMILESCC(/C=C/Nc1ccccc1)=C\C=[NH+]\c1ccccc1
InChIInChI=1S/C18H18N2/c1-16(12-14-19-17-8-4-2-5-9-17)13-15-20-18-10-6-3-7-11-18/h2-15,19H,1H3/p+1/b14-12+,16-13+,20-15+
InChIKeyKUCBDXVMDNTEAT-ZDQRNAQRSA-O
XLogP3.04
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-anilinoprop-2-enylidene]-phenylazanium chloride
CID 14228408
N-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline
CID 143914074
benzene;bis(N-prop-1-enylaniline)
CID 70363490
(Z)-3-anilinoprop-2-enamide
CID 143937122
2-anilinoethenol
CID 154058037
8-anilinoocta-3,5,7-trien-2-ylidene(dimethyl)azanium
CID 123995798
(Z)-1-anilino-4-hydroxy-5,5-dimethylhex-1-en-3-one
CID 135045536
dimethyl 2-(3-anilinoprop-2-enylidene)propanedioate
CID 72578596
(Z)-3-anilino-2-methylprop-2-enal
CID 19787661
N-[(1Z,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]aniline
CID 134513247
1-anilino-5-phenylpenta-1,4-dien-3-one
CID 3796923
N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride
CID 75086588

Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-5-anilino-3-methylpenta-2,4-dienylidene]-phenylazanium?
The IUPAC name of [(2E,4E)-5-anilino-3-methylpenta-2,4-dienylidene]-phenylazanium (CID 58771556) is [(2E,4E)-5-anilino-3-methylpenta-2,4-dienylidene]-phenylazanium.
What is the SMILES notation for [(2E,4E)-5-anilino-3-methylpenta-2,4-dienylidene]-phenylazanium?
The canonical SMILES for [(2E,4E)-5-anilino-3-methylpenta-2,4-dienylidene]-phenylazanium is CC(/C=C/Nc1ccccc1)=C\C=[NH+]\c1ccccc1.
What is the InChIKey of [(2E,4E)-5-anilino-3-methylpenta-2,4-dienylidene]-phenylazanium?
The InChIKey is KUCBDXVMDNTEAT-ZDQRNAQRSA-O. The full InChI is InChI=1S/C18H18N2/c1-16(12-14-19-17-8-4-2-5-9-17)13-15-20-18-10-6-3-7-11-18/h2-15,19H,1H3/p+1/b14-12+,16-13+,20-15+.
What are the key properties of [(2E,4E)-5-anilino-3-methylpenta-2,4-dienylidene]-phenylazanium?
[(2E,4E)-5-anilino-3-methylpenta-2,4-dienylidene]-phenylazanium has a molecular weight of 263.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-5-anilino-3-methylpenta-2,4-dienylidene]-phenylazanium is sourced from PubChem (CID 58771556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).