ethenyl(triethyl)azanium

C8H18N+ — CID 15492182

IUPACethenyl(triethyl)azanium
SMILESC=C[N+](CC)(CC)CC
InChIInChI=1S/C8H18N/c1-5-9(6-2,7-3)8-4/h5H,1,6-8H2,2-4H3/q+1
InChIKeyKEAOYAMQUMDVOO-UHFFFAOYSA-N
MW128.24 g/mol
LogP2.01
Rot. Bonds4

About ethenyl(triethyl)azanium

ethenyl(triethyl)azanium (PubChem CID 15492182) has the molecular formula C8H18N+ and a molecular weight of 128.24 g/mol. Its IUPAC name is ethenyl(triethyl)azanium.

Molecular Properties

Compound Nameethenyl(triethyl)azanium
PubChem CID15492182
Molecular FormulaC8H18N+
Molecular Weight128.24 g/mol
Exact Mass128.14
IUPAC Nameethenyl(triethyl)azanium
SMILESC=C[N+](CC)(CC)CC
InChIInChI=1S/C8H18N/c1-5-9(6-2,7-3)8-4/h5H,1,6-8H2,2-4H3/q+1
InChIKeyKEAOYAMQUMDVOO-UHFFFAOYSA-N
XLogP2.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.01
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(triethyl)azanium?
The IUPAC name of ethenyl(triethyl)azanium (CID 15492182) is ethenyl(triethyl)azanium.
What is the SMILES notation for ethenyl(triethyl)azanium?
The canonical SMILES for ethenyl(triethyl)azanium is C=C[N+](CC)(CC)CC.
What is the InChIKey of ethenyl(triethyl)azanium?
The InChIKey is KEAOYAMQUMDVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N/c1-5-9(6-2,7-3)8-4/h5H,1,6-8H2,2-4H3/q+1.
What are the key properties of ethenyl(triethyl)azanium?
ethenyl(triethyl)azanium has a molecular weight of 128.24 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(triethyl)azanium is sourced from PubChem (CID 15492182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).