2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride

C8H24Cl2N2O — CID 177256523

IUPAC2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride
SMILESC[N+](C)(C)CCO.C[NH+](C)C.[Cl-].[Cl-]
InChIInChI=1S/C5H14NO.C3H9N.2ClH/c1-6(2,3)4-5-7;1-4(2)3;;/h7H,4-5H2,1-3H3;1-3H3;2*1H/q+1;;;/p-1
InChIKeyZKXISKQZEHEIIK-UHFFFAOYSA-M
MW235.20 g/mol
LogP-7.55
Rot. Bonds2

About 2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride

2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride (PubChem CID 177256523) has the molecular formula C8H24Cl2N2O and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride
PubChem CID177256523
Molecular FormulaC8H24Cl2N2O
Molecular Weight235.20 g/mol
Exact Mass234.13
IUPAC Name2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride
SMILESC[N+](C)(C)CCO.C[NH+](C)C.[Cl-].[Cl-]
InChIInChI=1S/C5H14NO.C3H9N.2ClH/c1-6(2,3)4-5-7;1-4(2)3;;/h7H,4-5H2,1-3H3;1-3H3;2*1H/q+1;;;/p-1
InChIKeyZKXISKQZEHEIIK-UHFFFAOYSA-M
XLogP-7.55
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-7.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl(trimethyl)azanium;λ2-plumbane;chloride
CID 174998407
2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455
selanium 2-hydroxyethyl(trimethyl)azanium
CID 57348093
copper 2-hydroxyethyl(trimethyl)azanium
CID 89239745
2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide
CID 173388257
2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide
CID 175143989
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
bis(2-hydroxyethyl(trimethyl)azanium);selenate
CID 86566768
dichlorocopper;2-hydroxyethyl(trimethyl)azanium;chloride;dihydrate
CID 162014348
boric acid;butane-1,4-diol;2-hydroxyethyl(trimethyl)azanium;chloride
CID 175230989

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride (CID 177256523) is 2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride is C[N+](C)(C)CCO.C[NH+](C)C.[Cl-].[Cl-].
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride?
The InChIKey is ZKXISKQZEHEIIK-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14NO.C3H9N.2ClH/c1-6(2,3)4-5-7;1-4(2)3;;/h7H,4-5H2,1-3H3;1-3H3;2*1H/q+1;;;/p-1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride?
2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride has a molecular weight of 235.20 g/mol, XLogP of -7.55, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride is sourced from PubChem (CID 177256523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).