ethenyl(trimethyl)azanium bromide

C5H12BrN — CID 25426

IUPACethenyl(trimethyl)azanium bromide
SMILESC=C[N+](C)(C)C.[Br-]
InChIInChI=1S/C5H12N.BrH/c1-5-6(2,3)4;/h5H,1H2,2-4H3;1H/q+1;/p-1
InChIKeyIDVSELVVGYIOEX-UHFFFAOYSA-M
MW166.06 g/mol
LogP-2.16
Rot. Bonds1

About ethenyl(trimethyl)azanium bromide

ethenyl(trimethyl)azanium bromide (PubChem CID 25426) has the molecular formula C5H12BrN and a molecular weight of 166.06 g/mol. Its IUPAC name is ethenyl(trimethyl)azanium bromide.

Molecular Properties

Compound Nameethenyl(trimethyl)azanium bromide
PubChem CID25426
Molecular FormulaC5H12BrN
Molecular Weight166.06 g/mol
Exact Mass165.02
IUPAC Nameethenyl(trimethyl)azanium bromide
SMILESC=C[N+](C)(C)C.[Br-]
InChIInChI=1S/C5H12N.BrH/c1-5-6(2,3)4;/h5H,1H2,2-4H3;1H/q+1;/p-1
InChIKeyIDVSELVVGYIOEX-UHFFFAOYSA-M
XLogP-2.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.06
LogP ≤ 5-2.16
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 ethenyl(trimethyl)azanium bromide?
The IUPAC name of ethenyl(trimethyl)azanium bromide (CID 25426) is ethenyl(trimethyl)azanium bromide.
What is the SMILES notation for ethenyl(trimethyl)azanium bromide?
The canonical SMILES for ethenyl(trimethyl)azanium bromide is C=C[N+](C)(C)C.[Br-].
What is the InChIKey of ethenyl(trimethyl)azanium bromide?
The InChIKey is IDVSELVVGYIOEX-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H12N.BrH/c1-5-6(2,3)4;/h5H,1H2,2-4H3;1H/q+1;/p-1.
What are the key properties of ethenyl(trimethyl)azanium bromide?
ethenyl(trimethyl)azanium bromide has a molecular weight of 166.06 g/mol, XLogP of -2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(trimethyl)azanium bromide is sourced from PubChem (CID 25426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).