ethenyl(trimethyl)azanium

C5H12N+ — CID 10043

IUPACethenyl(trimethyl)azanium
SMILESC=C[N+](C)(C)C
InChIInChI=1S/C5H12N/c1-5-6(2,3)4/h5H,1H2,2-4H3/q+1
InChIKeyPPJWCUOWPVSSSW-UHFFFAOYSA-N
MW86.16 g/mol
LogP0.84
Rot. Bonds1

About ethenyl(trimethyl)azanium

ethenyl(trimethyl)azanium (PubChem CID 10043) has the molecular formula C5H12N+ and a molecular weight of 86.16 g/mol. Its IUPAC name is ethenyl(trimethyl)azanium.

Molecular Properties

Compound Nameethenyl(trimethyl)azanium
PubChem CID10043
Molecular FormulaC5H12N+
Molecular Weight86.16 g/mol
Exact Mass86.10
IUPAC Nameethenyl(trimethyl)azanium
SMILESC=C[N+](C)(C)C
InChIInChI=1S/C5H12N/c1-5-6(2,3)4/h5H,1H2,2-4H3/q+1
InChIKeyPPJWCUOWPVSSSW-UHFFFAOYSA-N
XLogP0.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.16
LogP ≤ 50.84
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?
The IUPAC name of ethenyl(trimethyl)azanium (CID 10043) is ethenyl(trimethyl)azanium.
What is the SMILES notation for ethenyl(trimethyl)azanium?
The canonical SMILES for ethenyl(trimethyl)azanium is C=C[N+](C)(C)C.
What is the InChIKey of ethenyl(trimethyl)azanium?
The InChIKey is PPJWCUOWPVSSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N/c1-5-6(2,3)4/h5H,1H2,2-4H3/q+1.
What are the key properties of ethenyl(trimethyl)azanium?
ethenyl(trimethyl)azanium has a molecular weight of 86.16 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(trimethyl)azanium is sourced from PubChem (CID 10043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).