methyl-[(2E,4E)-5-(N-methylanilino)penta-2,4-dienylidene]-phenylazanium chloride

C19H21ClN2 — CID 6433590

IUPACmethyl-[(2E,4E)-5-(N-methylanilino)penta-2,4-dienylidene]-phenylazanium chloride
SMILESCN(/C=C/C=C/C=[N+](\C)c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C19H21N2.ClH/c1-20(18-12-6-3-7-13-18)16-10-5-11-17-21(2)19-14-8-4-9-15-19;/h3-17H,1-2H3;1H/q+1;/p-1
InChIKeyFPYATAHHYUQBFA-UHFFFAOYSA-M
MW312.84 g/mol
LogP1.24
Rot. Bonds5

About methyl-[(2E,4E)-5-(N-methylanilino)penta-2,4-dienylidene]-phenylazanium chloride

methyl-[(2E,4E)-5-(N-methylanilino)penta-2,4-dienylidene]-phenylazanium chloride (PubChem CID 6433590) has the molecular formula C19H21ClN2 and a molecular weight of 312.84 g/mol. Its IUPAC name is methyl-[(2E,4E)-5-(N-methylanilino)penta-2,4-dienylidene]-phenylazanium chloride.

Molecular Properties

Compound Namemethyl-[(2E,4E)-5-(N-methylanilino)penta-2,4-dienylidene]-phenylazanium chloride
PubChem CID6433590
Molecular FormulaC19H21ClN2
Molecular Weight312.84 g/mol
Exact Mass312.14
IUPAC Namemethyl-[(2E,4E)-5-(N-methylanilino)penta-2,4-dienylidene]-phenylazanium chloride
SMILESCN(/C=C/C=C/C=[N+](\C)c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C19H21N2.ClH/c1-20(18-12-6-3-7-13-18)16-10-5-11-17-21(2)19-14-8-4-9-15-19;/h3-17H,1-2H3;1H/q+1;/p-1
InChIKeyFPYATAHHYUQBFA-UHFFFAOYSA-M
XLogP1.24
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-[(2E,4E)-5-(N-methylanilino)penta-2,4-dienylidene]-phenylazanium chloride?
The IUPAC name of methyl-[(2E,4E)-5-(N-methylanilino)penta-2,4-dienylidene]-phenylazanium chloride (CID 6433590) is methyl-[(2E,4E)-5-(N-methylanilino)penta-2,4-dienylidene]-phenylazanium chloride.
What is the SMILES notation for methyl-[(2E,4E)-5-(N-methylanilino)penta-2,4-dienylidene]-phenylazanium chloride?
The canonical SMILES for methyl-[(2E,4E)-5-(N-methylanilino)penta-2,4-dienylidene]-phenylazanium chloride is CN(/C=C/C=C/C=[N+](\C)c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of methyl-[(2E,4E)-5-(N-methylanilino)penta-2,4-dienylidene]-phenylazanium chloride?
The InChIKey is FPYATAHHYUQBFA-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H21N2.ClH/c1-20(18-12-6-3-7-13-18)16-10-5-11-17-21(2)19-14-8-4-9-15-19;/h3-17H,1-2H3;1H/q+1;/p-1.
What are the key properties of methyl-[(2E,4E)-5-(N-methylanilino)penta-2,4-dienylidene]-phenylazanium chloride?
methyl-[(2E,4E)-5-(N-methylanilino)penta-2,4-dienylidene]-phenylazanium chloride has a molecular weight of 312.84 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2E,4E)-5-(N-methylanilino)penta-2,4-dienylidene]-phenylazanium chloride is sourced from PubChem (CID 6433590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).