triethyl(prop-2-enyl)azanium iodide

C9H20IN — CID 20151

IUPACtriethyl(prop-2-enyl)azanium iodide
SMILESC=CC[N+](CC)(CC)CC.[I-]
InChIInChI=1S/C9H20N.HI/c1-5-9-10(6-2,7-3)8-4;/h5H,1,6-9H2,2-4H3;1H/q+1;/p-1
InChIKeyUYPJGRXBGHMGON-UHFFFAOYSA-M
MW269.17 g/mol
LogP-0.95
Rot. Bonds5

About triethyl(prop-2-enyl)azanium iodide

triethyl(prop-2-enyl)azanium iodide (PubChem CID 20151) has the molecular formula C9H20IN and a molecular weight of 269.17 g/mol. Its IUPAC name is triethyl(prop-2-enyl)azanium iodide.

Molecular Properties

Compound Nametriethyl(prop-2-enyl)azanium iodide
PubChem CID20151
Molecular FormulaC9H20IN
Molecular Weight269.17 g/mol
Exact Mass269.06
IUPAC Nametriethyl(prop-2-enyl)azanium iodide
SMILESC=CC[N+](CC)(CC)CC.[I-]
InChIInChI=1S/C9H20N.HI/c1-5-9-10(6-2,7-3)8-4;/h5H,1,6-9H2,2-4H3;1H/q+1;/p-1
InChIKeyUYPJGRXBGHMGON-UHFFFAOYSA-M
XLogP-0.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'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 iodide?
The IUPAC name of triethyl(prop-2-enyl)azanium iodide (CID 20151) is triethyl(prop-2-enyl)azanium iodide.
What is the SMILES notation for triethyl(prop-2-enyl)azanium iodide?
The canonical SMILES for triethyl(prop-2-enyl)azanium iodide is C=CC[N+](CC)(CC)CC.[I-].
What is the InChIKey of triethyl(prop-2-enyl)azanium iodide?
The InChIKey is UYPJGRXBGHMGON-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20N.HI/c1-5-9-10(6-2,7-3)8-4;/h5H,1,6-9H2,2-4H3;1H/q+1;/p-1.
What are the key properties of triethyl(prop-2-enyl)azanium iodide?
triethyl(prop-2-enyl)azanium iodide has a molecular weight of 269.17 g/mol, XLogP of -0.95, 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 iodide is sourced from PubChem (CID 20151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).