trimethyl(2-propoxyethyl)azanium iodide

C8H20INO — CID 23273529

IUPACtrimethyl(2-propoxyethyl)azanium iodide
SMILESCCCOCC[N+](C)(C)C.[I-]
InChIInChI=1S/C8H20NO.HI/c1-5-7-10-8-6-9(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyZFJLYBGMXWMQGR-UHFFFAOYSA-M
MW273.16 g/mol
LogP-1.88
Rot. Bonds5

About trimethyl(2-propoxyethyl)azanium iodide

trimethyl(2-propoxyethyl)azanium iodide (PubChem CID 23273529) has the molecular formula C8H20INO and a molecular weight of 273.16 g/mol. Its IUPAC name is trimethyl(2-propoxyethyl)azanium iodide.

Molecular Properties

Compound Nametrimethyl(2-propoxyethyl)azanium iodide
PubChem CID23273529
Molecular FormulaC8H20INO
Molecular Weight273.16 g/mol
Exact Mass273.06
IUPAC Nametrimethyl(2-propoxyethyl)azanium iodide
SMILESCCCOCC[N+](C)(C)C.[I-]
InChIInChI=1S/C8H20NO.HI/c1-5-7-10-8-6-9(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyZFJLYBGMXWMQGR-UHFFFAOYSA-M
XLogP-1.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 trimethyl(2-propoxyethyl)azanium iodide?
The IUPAC name of trimethyl(2-propoxyethyl)azanium iodide (CID 23273529) is trimethyl(2-propoxyethyl)azanium iodide.
What is the SMILES notation for trimethyl(2-propoxyethyl)azanium iodide?
The canonical SMILES for trimethyl(2-propoxyethyl)azanium iodide is CCCOCC[N+](C)(C)C.[I-].
What is the InChIKey of trimethyl(2-propoxyethyl)azanium iodide?
The InChIKey is ZFJLYBGMXWMQGR-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20NO.HI/c1-5-7-10-8-6-9(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl(2-propoxyethyl)azanium iodide?
trimethyl(2-propoxyethyl)azanium iodide has a molecular weight of 273.16 g/mol, XLogP of -1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-propoxyethyl)azanium iodide is sourced from PubChem (CID 23273529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).