triethyl(prop-2-enoxymethyl)azanium iodide

C10H22INO — CID 3026346

IUPACtriethyl(prop-2-enoxymethyl)azanium iodide
SMILESC=CCOC[N+](CC)(CC)CC.[I-]
InChIInChI=1S/C10H22NO.HI/c1-5-9-12-10-11(6-2,7-3)8-4;/h5H,1,6-10H2,2-4H3;1H/q+1;/p-1
InChIKeyBYTMUTBVEXWCSG-UHFFFAOYSA-M
MW299.20 g/mol
LogP-0.97
Rot. Bonds7

About triethyl(prop-2-enoxymethyl)azanium iodide

triethyl(prop-2-enoxymethyl)azanium iodide (PubChem CID 3026346) has the molecular formula C10H22INO and a molecular weight of 299.20 g/mol. Its IUPAC name is triethyl(prop-2-enoxymethyl)azanium iodide.

Molecular Properties

Compound Nametriethyl(prop-2-enoxymethyl)azanium iodide
PubChem CID3026346
Molecular FormulaC10H22INO
Molecular Weight299.20 g/mol
Exact Mass299.07
IUPAC Nametriethyl(prop-2-enoxymethyl)azanium iodide
SMILESC=CCOC[N+](CC)(CC)CC.[I-]
InChIInChI=1S/C10H22NO.HI/c1-5-9-12-10-11(6-2,7-3)8-4;/h5H,1,6-10H2,2-4H3;1H/q+1;/p-1
InChIKeyBYTMUTBVEXWCSG-UHFFFAOYSA-M
XLogP-0.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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-enoxymethyl)azanium iodide?
The IUPAC name of triethyl(prop-2-enoxymethyl)azanium iodide (CID 3026346) is triethyl(prop-2-enoxymethyl)azanium iodide.
What is the SMILES notation for triethyl(prop-2-enoxymethyl)azanium iodide?
The canonical SMILES for triethyl(prop-2-enoxymethyl)azanium iodide is C=CCOC[N+](CC)(CC)CC.[I-].
What is the InChIKey of triethyl(prop-2-enoxymethyl)azanium iodide?
The InChIKey is BYTMUTBVEXWCSG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H22NO.HI/c1-5-9-12-10-11(6-2,7-3)8-4;/h5H,1,6-10H2,2-4H3;1H/q+1;/p-1.
What are the key properties of triethyl(prop-2-enoxymethyl)azanium iodide?
triethyl(prop-2-enoxymethyl)azanium iodide has a molecular weight of 299.20 g/mol, XLogP of -0.97, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(prop-2-enoxymethyl)azanium iodide is sourced from PubChem (CID 3026346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).