bis(ethenylidene(dimethyl)azanium) dichloride

C8H16Cl2N2 — CID 173014859

IUPACbis(ethenylidene(dimethyl)azanium) dichloride
SMILESC=C=[N+](C)C.C=C=[N+](C)C.[Cl-].[Cl-]
InChIInChI=1S/2C4H8N.2ClH/c2*1-4-5(2)3;;/h2*1H2,2-3H3;2*1H/q2*+1;;/p-2
InChIKeyLVXQALXCRVKLEC-UHFFFAOYSA-L
MW211.14 g/mol
LogP-5.76
Rot. Bonds

About bis(ethenylidene(dimethyl)azanium) dichloride

bis(ethenylidene(dimethyl)azanium) dichloride (PubChem CID 173014859) has the molecular formula C8H16Cl2N2 and a molecular weight of 211.14 g/mol. Its IUPAC name is bis(ethenylidene(dimethyl)azanium) dichloride.

Molecular Properties

Compound Namebis(ethenylidene(dimethyl)azanium) dichloride
PubChem CID173014859
Molecular FormulaC8H16Cl2N2
Molecular Weight211.14 g/mol
Exact Mass210.07
IUPAC Namebis(ethenylidene(dimethyl)azanium) dichloride
SMILESC=C=[N+](C)C.C=C=[N+](C)C.[Cl-].[Cl-]
InChIInChI=1S/2C4H8N.2ClH/c2*1-4-5(2)3;;/h2*1H2,2-3H3;2*1H/q2*+1;;/p-2
InChIKeyLVXQALXCRVKLEC-UHFFFAOYSA-L
XLogP-5.76
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 5-5.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 bis(ethenylidene(dimethyl)azanium) dichloride?
The IUPAC name of bis(ethenylidene(dimethyl)azanium) dichloride (CID 173014859) is bis(ethenylidene(dimethyl)azanium) dichloride.
What is the SMILES notation for bis(ethenylidene(dimethyl)azanium) dichloride?
The canonical SMILES for bis(ethenylidene(dimethyl)azanium) dichloride is C=C=[N+](C)C.C=C=[N+](C)C.[Cl-].[Cl-].
What is the InChIKey of bis(ethenylidene(dimethyl)azanium) dichloride?
The InChIKey is LVXQALXCRVKLEC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H8N.2ClH/c2*1-4-5(2)3;;/h2*1H2,2-3H3;2*1H/q2*+1;;/p-2.
What are the key properties of bis(ethenylidene(dimethyl)azanium) dichloride?
bis(ethenylidene(dimethyl)azanium) dichloride has a molecular weight of 211.14 g/mol, XLogP of -5.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethenylidene(dimethyl)azanium) dichloride is sourced from PubChem (CID 173014859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).