triethyl(prop-1-en-2-yl)azanium

C9H20N+ — CID 10855058

IUPACtriethyl(prop-1-en-2-yl)azanium
SMILESC=C(C)[N+](CC)(CC)CC
InChIInChI=1S/C9H20N/c1-6-10(7-2,8-3)9(4)5/h4,6-8H2,1-3,5H3/q+1
InChIKeyDURMQIFLHXJZAA-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.40
Rot. Bonds4

About triethyl(prop-1-en-2-yl)azanium

triethyl(prop-1-en-2-yl)azanium (PubChem CID 10855058) has the molecular formula C9H20N+ and a molecular weight of 142.27 g/mol. Its IUPAC name is triethyl(prop-1-en-2-yl)azanium.

Molecular Properties

Compound Nametriethyl(prop-1-en-2-yl)azanium
PubChem CID10855058
Molecular FormulaC9H20N+
Molecular Weight142.27 g/mol
Exact Mass142.16
IUPAC Nametriethyl(prop-1-en-2-yl)azanium
SMILESC=C(C)[N+](CC)(CC)CC
InChIInChI=1S/C9H20N/c1-6-10(7-2,8-3)9(4)5/h4,6-8H2,1-3,5H3/q+1
InChIKeyDURMQIFLHXJZAA-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.40
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 triethyl(prop-1-en-2-yl)azanium?
The IUPAC name of triethyl(prop-1-en-2-yl)azanium (CID 10855058) is triethyl(prop-1-en-2-yl)azanium.
What is the SMILES notation for triethyl(prop-1-en-2-yl)azanium?
The canonical SMILES for triethyl(prop-1-en-2-yl)azanium is C=C(C)[N+](CC)(CC)CC.
What is the InChIKey of triethyl(prop-1-en-2-yl)azanium?
The InChIKey is DURMQIFLHXJZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N/c1-6-10(7-2,8-3)9(4)5/h4,6-8H2,1-3,5H3/q+1.
What are the key properties of triethyl(prop-1-en-2-yl)azanium?
triethyl(prop-1-en-2-yl)azanium has a molecular weight of 142.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(prop-1-en-2-yl)azanium is sourced from PubChem (CID 10855058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).