bis(2,2-dihydroxyethyl)-dimethylazanium

C6H16NO4+ — CID 19613998

IUPACbis(2,2-dihydroxyethyl)-dimethylazanium
SMILESC[N+](C)(CC(O)O)CC(O)O
InChIInChI=1S/C6H16NO4/c1-7(2,3-5(8)9)4-6(10)11/h5-6,8-11H,3-4H2,1-2H3/q+1
InChIKeyBHJSVYROZLCJIJ-UHFFFAOYSA-N
MW166.20 g/mol
LogP-2.32
Rot. Bonds4

About bis(2,2-dihydroxyethyl)-dimethylazanium

bis(2,2-dihydroxyethyl)-dimethylazanium (PubChem CID 19613998) has the molecular formula C6H16NO4+ and a molecular weight of 166.20 g/mol. Its IUPAC name is bis(2,2-dihydroxyethyl)-dimethylazanium.

Molecular Properties

Compound Namebis(2,2-dihydroxyethyl)-dimethylazanium
PubChem CID19613998
Molecular FormulaC6H16NO4+
Molecular Weight166.20 g/mol
Exact Mass166.11
IUPAC Namebis(2,2-dihydroxyethyl)-dimethylazanium
SMILESC[N+](C)(CC(O)O)CC(O)O
InChIInChI=1S/C6H16NO4/c1-7(2,3-5(8)9)4-6(10)11/h5-6,8-11H,3-4H2,1-2H3/q+1
InChIKeyBHJSVYROZLCJIJ-UHFFFAOYSA-N
XLogP-2.32
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-2.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[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
bis(2-hydroxypropyl(trimethyl)azanium);dichloride;hydrate
CID 173377336
2-hydroxypropyl(trimethyl)azanium iodide
CID 10263892
(2-hydroxy-2-sulfanylethyl)-trimethylazanium
CID 87329040
1-hydroxy-2-(trimethylazaniumyl)ethanolate
CID 57464204
azane;(3-chloro-2-hydroxypropyl)-trimethylazanium;chloride;hydrochloride
CID 174761463
(2-hydroxy-3-oxopropyl)-trimethylazanium chloride
CID 158373380
2-hydroxypropylmercury(1+) hydroxide
CID 3083910
(4-amino-2-hydroxybutyl)-trimethylazanium;chloride;hydrochloride
CID 3026354
[(2R)-4-amino-2-hydroxybutyl]-trimethylazanium;chloride;hydrochloride
CID 155821322
[(2R)-2-hydroxy-3-hydroxycarbonylpropyl]-trimethylazanium chloride
CID 163285440

Frequently Asked Questions

What is the IUPAC name of bis(2,2-dihydroxyethyl)-dimethylazanium?
The IUPAC name of bis(2,2-dihydroxyethyl)-dimethylazanium (CID 19613998) is bis(2,2-dihydroxyethyl)-dimethylazanium.
What is the SMILES notation for bis(2,2-dihydroxyethyl)-dimethylazanium?
The canonical SMILES for bis(2,2-dihydroxyethyl)-dimethylazanium is C[N+](C)(CC(O)O)CC(O)O.
What is the InChIKey of bis(2,2-dihydroxyethyl)-dimethylazanium?
The InChIKey is BHJSVYROZLCJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO4/c1-7(2,3-5(8)9)4-6(10)11/h5-6,8-11H,3-4H2,1-2H3/q+1.
What are the key properties of bis(2,2-dihydroxyethyl)-dimethylazanium?
bis(2,2-dihydroxyethyl)-dimethylazanium has a molecular weight of 166.20 g/mol, XLogP of -2.32, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dihydroxyethyl)-dimethylazanium is sourced from PubChem (CID 19613998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).