2-hydroxypropyl(trimethyl)azanium iodide

C6H16INO — CID 10263892

IUPAC2-hydroxypropyl(trimethyl)azanium iodide
SMILESCC(O)C[N+](C)(C)C.[I-]
InChIInChI=1S/C6H16NO.HI/c1-6(8)5-7(2,3)4;/h6,8H,5H2,1-4H3;1H/q+1;/p-1
InChIKeyFOILINVEQJRMPF-UHFFFAOYSA-M
MW245.10 g/mol
LogP-2.92
Rot. Bonds2

About 2-hydroxypropyl(trimethyl)azanium iodide

2-hydroxypropyl(trimethyl)azanium iodide (PubChem CID 10263892) has the molecular formula C6H16INO and a molecular weight of 245.10 g/mol. Its IUPAC name is 2-hydroxypropyl(trimethyl)azanium iodide.

Molecular Properties

Compound Name2-hydroxypropyl(trimethyl)azanium iodide
PubChem CID10263892
Molecular FormulaC6H16INO
Molecular Weight245.10 g/mol
Exact Mass245.03
IUPAC Name2-hydroxypropyl(trimethyl)azanium iodide
SMILESCC(O)C[N+](C)(C)C.[I-]
InChIInChI=1S/C6H16NO.HI/c1-6(8)5-7(2,3)4;/h6,8H,5H2,1-4H3;1H/q+1;/p-1
InChIKeyFOILINVEQJRMPF-UHFFFAOYSA-M
XLogP-2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 5-2.92
H-Bond Donors ≤ 51
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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Related Compounds

bis(2-hydroxypropyl(trimethyl)azanium);dichloride;hydrate
CID 173377336
N,N-dimethylmethanamine;2-hydroxypropyl(trimethyl)azanium
CID 87756343
carbonic acid;2-hydroxypropyl(trimethyl)azanium
CID 174974136
2-hydroxypropyl(trimethyl)azanium;perchloric acid
CID 87344465
azane;formic acid;2-hydroxypropyl(trimethyl)azanium
CID 174711582
2-hydroxypropyl(trimethyl)azanium;2-methylprop-2-enoate;hydrochloride
CID 175459038
2-hydroxypropyl(trimethyl)azanium;prop-2-enamide;chloride
CID 160609896
2-hydroxypropyl(trimethyl)azanium;octadecanoate
CID 141310032
(2-hydroxy-2-sulfanylethyl)-trimethylazanium
CID 87329040
1-hydroxy-2-(trimethylazaniumyl)ethanolate
CID 57464204
[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium
CID 102027381
[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium
CID 102027380

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl(trimethyl)azanium iodide?
The IUPAC name of 2-hydroxypropyl(trimethyl)azanium iodide (CID 10263892) is 2-hydroxypropyl(trimethyl)azanium iodide.
What is the SMILES notation for 2-hydroxypropyl(trimethyl)azanium iodide?
The canonical SMILES for 2-hydroxypropyl(trimethyl)azanium iodide is CC(O)C[N+](C)(C)C.[I-].
What is the InChIKey of 2-hydroxypropyl(trimethyl)azanium iodide?
The InChIKey is FOILINVEQJRMPF-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16NO.HI/c1-6(8)5-7(2,3)4;/h6,8H,5H2,1-4H3;1H/q+1;/p-1.
What are the key properties of 2-hydroxypropyl(trimethyl)azanium iodide?
2-hydroxypropyl(trimethyl)azanium iodide has a molecular weight of 245.10 g/mol, XLogP of -2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl(trimethyl)azanium iodide is sourced from PubChem (CID 10263892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).