[(Z)-3-(dimethylamino)-2-pyridin-4-ylprop-2-enylidene]-dimethylazanium;chloride;hydrochloride

C12H19Cl2N3 — CID 12875892

IUPAC[(Z)-3-(dimethylamino)-2-pyridin-4-ylprop-2-enylidene]-dimethylazanium;chloride;hydrochloride
SMILESCN(C)/C=C(\C=[N+](C)C)c1ccncc1.Cl.[Cl-]
InChIInChI=1S/C12H18N3.2ClH/c1-14(2)9-12(10-15(3)4)11-5-7-13-8-6-11;;/h5-10H,1-4H3;2*1H/q+1;;/p-1
InChIKeyCHCQMZSLUCAICN-UHFFFAOYSA-M
MW276.21 g/mol
LogP-1.25
Rot. Bonds3

About [(Z)-3-(dimethylamino)-2-pyridin-4-ylprop-2-enylidene]-dimethylazanium;chloride;hydrochloride

[(Z)-3-(dimethylamino)-2-pyridin-4-ylprop-2-enylidene]-dimethylazanium;chloride;hydrochloride (PubChem CID 12875892) has the molecular formula C12H19Cl2N3 and a molecular weight of 276.21 g/mol. Its IUPAC name is [(Z)-3-(dimethylamino)-2-pyridin-4-ylprop-2-enylidene]-dimethylazanium;chloride;hydrochloride.

Molecular Properties

Compound Name[(Z)-3-(dimethylamino)-2-pyridin-4-ylprop-2-enylidene]-dimethylazanium;chloride;hydrochloride
PubChem CID12875892
Molecular FormulaC12H19Cl2N3
Molecular Weight276.21 g/mol
Exact Mass275.10
IUPAC Name[(Z)-3-(dimethylamino)-2-pyridin-4-ylprop-2-enylidene]-dimethylazanium;chloride;hydrochloride
SMILESCN(C)/C=C(\C=[N+](C)C)c1ccncc1.Cl.[Cl-]
InChIInChI=1S/C12H18N3.2ClH/c1-14(2)9-12(10-15(3)4)11-5-7-13-8-6-11;;/h5-10H,1-4H3;2*1H/q+1;;/p-1
InChIKeyCHCQMZSLUCAICN-UHFFFAOYSA-M
XLogP-1.25
TPSA19.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 5-1.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-(dimethylamino)-2-pyridin-4-ylprop-2-enylidene]-dimethylazanium;chloride;hydrochloride?
The IUPAC name of [(Z)-3-(dimethylamino)-2-pyridin-4-ylprop-2-enylidene]-dimethylazanium;chloride;hydrochloride (CID 12875892) is [(Z)-3-(dimethylamino)-2-pyridin-4-ylprop-2-enylidene]-dimethylazanium;chloride;hydrochloride.
What is the SMILES notation for [(Z)-3-(dimethylamino)-2-pyridin-4-ylprop-2-enylidene]-dimethylazanium;chloride;hydrochloride?
The canonical SMILES for [(Z)-3-(dimethylamino)-2-pyridin-4-ylprop-2-enylidene]-dimethylazanium;chloride;hydrochloride is CN(C)/C=C(\C=[N+](C)C)c1ccncc1.Cl.[Cl-].
What is the InChIKey of [(Z)-3-(dimethylamino)-2-pyridin-4-ylprop-2-enylidene]-dimethylazanium;chloride;hydrochloride?
The InChIKey is CHCQMZSLUCAICN-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H18N3.2ClH/c1-14(2)9-12(10-15(3)4)11-5-7-13-8-6-11;;/h5-10H,1-4H3;2*1H/q+1;;/p-1.
What are the key properties of [(Z)-3-(dimethylamino)-2-pyridin-4-ylprop-2-enylidene]-dimethylazanium;chloride;hydrochloride?
[(Z)-3-(dimethylamino)-2-pyridin-4-ylprop-2-enylidene]-dimethylazanium;chloride;hydrochloride has a molecular weight of 276.21 g/mol, XLogP of -1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(dimethylamino)-2-pyridin-4-ylprop-2-enylidene]-dimethylazanium;chloride;hydrochloride is sourced from PubChem (CID 12875892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).