1-ethoxypropan-2-yl(trimethyl)azanium iodide

C8H20INO — CID 90679391

IUPAC1-ethoxypropan-2-yl(trimethyl)azanium iodide
SMILESCCOCC(C)[N+](C)(C)C.[I-]
InChIInChI=1S/C8H20NO.HI/c1-6-10-7-8(2)9(3,4)5;/h8H,6-7H2,1-5H3;1H/q+1;/p-1
InChIKeyXXBSTAYRBDEYQI-UHFFFAOYSA-M
MW273.16 g/mol
LogP-1.88
Rot. Bonds4

About 1-ethoxypropan-2-yl(trimethyl)azanium iodide

1-ethoxypropan-2-yl(trimethyl)azanium iodide (PubChem CID 90679391) has the molecular formula C8H20INO and a molecular weight of 273.16 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl(trimethyl)azanium iodide.

Molecular Properties

Compound Name1-ethoxypropan-2-yl(trimethyl)azanium iodide
PubChem CID90679391
Molecular FormulaC8H20INO
Molecular Weight273.16 g/mol
Exact Mass273.06
IUPAC Name1-ethoxypropan-2-yl(trimethyl)azanium iodide
SMILESCCOCC(C)[N+](C)(C)C.[I-]
InChIInChI=1S/C8H20NO.HI/c1-6-10-7-8(2)9(3,4)5;/h8H,6-7H2,1-5H3;1H/q+1;/p-1
InChIKeyXXBSTAYRBDEYQI-UHFFFAOYSA-M
XLogP-1.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 5-1.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl(trimethyl)azanium iodide?
The IUPAC name of 1-ethoxypropan-2-yl(trimethyl)azanium iodide (CID 90679391) is 1-ethoxypropan-2-yl(trimethyl)azanium iodide.
What is the SMILES notation for 1-ethoxypropan-2-yl(trimethyl)azanium iodide?
The canonical SMILES for 1-ethoxypropan-2-yl(trimethyl)azanium iodide is CCOCC(C)[N+](C)(C)C.[I-].
What is the InChIKey of 1-ethoxypropan-2-yl(trimethyl)azanium iodide?
The InChIKey is XXBSTAYRBDEYQI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20NO.HI/c1-6-10-7-8(2)9(3,4)5;/h8H,6-7H2,1-5H3;1H/q+1;/p-1.
What are the key properties of 1-ethoxypropan-2-yl(trimethyl)azanium iodide?
1-ethoxypropan-2-yl(trimethyl)azanium iodide has a molecular weight of 273.16 g/mol, XLogP of -1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl(trimethyl)azanium iodide is sourced from PubChem (CID 90679391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).