[(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride

C7H15ClN2 — CID 10888246

IUPAC[(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride
SMILESCN(C)/C=C/C=[N+](C)C.[Cl-]
InChIInChI=1S/C7H15N2.ClH/c1-8(2)6-5-7-9(3)4;/h5-7H,1-4H3;1H/q+1;/p-1
InChIKeyNOCGINXACMDOSR-UHFFFAOYSA-M
MW162.66 g/mol
LogP-2.59
Rot. Bonds2

About [(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride

[(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride (PubChem CID 10888246) has the molecular formula C7H15ClN2 and a molecular weight of 162.66 g/mol. Its IUPAC name is [(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride.

Molecular Properties

Compound Name[(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride
PubChem CID10888246
Molecular FormulaC7H15ClN2
Molecular Weight162.66 g/mol
Exact Mass162.09
IUPAC Name[(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride
SMILESCN(C)/C=C/C=[N+](C)C.[Cl-]
InChIInChI=1S/C7H15N2.ClH/c1-8(2)6-5-7-9(3)4;/h5-7H,1-4H3;1H/q+1;/p-1
InChIKeyNOCGINXACMDOSR-UHFFFAOYSA-M
XLogP-2.59
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 5-2.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride?
The IUPAC name of [(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride (CID 10888246) is [(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride.
What is the SMILES notation for [(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride?
The canonical SMILES for [(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride is CN(C)/C=C/C=[N+](C)C.[Cl-].
What is the InChIKey of [(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride?
The InChIKey is NOCGINXACMDOSR-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15N2.ClH/c1-8(2)6-5-7-9(3)4;/h5-7H,1-4H3;1H/q+1;/p-1.
What are the key properties of [(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride?
[(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride has a molecular weight of 162.66 g/mol, XLogP of -2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium chloride is sourced from PubChem (CID 10888246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).