triethyl(prop-2-enyl)azanium

C9H20N+ — CID 20152

IUPACtriethyl(prop-2-enyl)azanium
SMILESC=CC[N+](CC)(CC)CC
InChIInChI=1S/C9H20N/c1-5-9-10(6-2,7-3)8-4/h5H,1,6-9H2,2-4H3/q+1
InChIKeyWYVYEIXLHVEXCJ-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.05
Rot. Bonds5

About triethyl(prop-2-enyl)azanium

triethyl(prop-2-enyl)azanium (PubChem CID 20152) has the molecular formula C9H20N+ and a molecular weight of 142.27 g/mol. Its IUPAC name is triethyl(prop-2-enyl)azanium.

Molecular Properties

Compound Nametriethyl(prop-2-enyl)azanium
PubChem CID20152
Molecular FormulaC9H20N+
Molecular Weight142.27 g/mol
Exact Mass142.16
IUPAC Nametriethyl(prop-2-enyl)azanium
SMILESC=CC[N+](CC)(CC)CC
InChIInChI=1S/C9H20N/c1-5-9-10(6-2,7-3)8-4/h5H,1,6-9H2,2-4H3/q+1
InChIKeyWYVYEIXLHVEXCJ-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl(prop-2-enyl)azanium?
The IUPAC name of triethyl(prop-2-enyl)azanium (CID 20152) is triethyl(prop-2-enyl)azanium.
What is the SMILES notation for triethyl(prop-2-enyl)azanium?
The canonical SMILES for triethyl(prop-2-enyl)azanium is C=CC[N+](CC)(CC)CC.
What is the InChIKey of triethyl(prop-2-enyl)azanium?
The InChIKey is WYVYEIXLHVEXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N/c1-5-9-10(6-2,7-3)8-4/h5H,1,6-9H2,2-4H3/q+1.
What are the key properties of triethyl(prop-2-enyl)azanium?
triethyl(prop-2-enyl)azanium has a molecular weight of 142.27 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(prop-2-enyl)azanium is sourced from PubChem (CID 20152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).