bis(ethenyl)-dimethylazanium

C6H12N+ — CID 10176160

IUPACbis(ethenyl)-dimethylazanium
SMILESC=C[N+](C)(C)C=C
InChIInChI=1S/C6H12N/c1-5-7(3,4)6-2/h5-6H,1-2H2,3-4H3/q+1
InChIKeyYTRPDSQEPGIYIP-UHFFFAOYSA-N
MW98.17 g/mol
LogP1.35
Rot. Bonds2

About bis(ethenyl)-dimethylazanium

bis(ethenyl)-dimethylazanium (PubChem CID 10176160) has the molecular formula C6H12N+ and a molecular weight of 98.17 g/mol. Its IUPAC name is bis(ethenyl)-dimethylazanium.

Molecular Properties

Compound Namebis(ethenyl)-dimethylazanium
PubChem CID10176160
Molecular FormulaC6H12N+
Molecular Weight98.17 g/mol
Exact Mass98.10
IUPAC Namebis(ethenyl)-dimethylazanium
SMILESC=C[N+](C)(C)C=C
InChIInChI=1S/C6H12N/c1-5-7(3,4)6-2/h5-6H,1-2H2,3-4H3/q+1
InChIKeyYTRPDSQEPGIYIP-UHFFFAOYSA-N
XLogP1.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.17
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(ethenyl)-dimethylazanium?
The IUPAC name of bis(ethenyl)-dimethylazanium (CID 10176160) is bis(ethenyl)-dimethylazanium.
What is the SMILES notation for bis(ethenyl)-dimethylazanium?
The canonical SMILES for bis(ethenyl)-dimethylazanium is C=C[N+](C)(C)C=C.
What is the InChIKey of bis(ethenyl)-dimethylazanium?
The InChIKey is YTRPDSQEPGIYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N/c1-5-7(3,4)6-2/h5-6H,1-2H2,3-4H3/q+1.
What are the key properties of bis(ethenyl)-dimethylazanium?
bis(ethenyl)-dimethylazanium has a molecular weight of 98.17 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethenyl)-dimethylazanium is sourced from PubChem (CID 10176160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).