2-hydroxyethylazanium;trimethylazanium;dichloride

C5H18Cl2N2O — CID 172796747

IUPAC2-hydroxyethylazanium;trimethylazanium;dichloride
SMILESC[NH+](C)C.[Cl-].[Cl-].[NH3+]CCO
InChIInChI=1S/C3H9N.C2H7NO.2ClH/c1-4(2)3;3-1-2-4;;/h1-3H3;4H,1-3H2;2*1H
InChIKeyQHPFCLQBWUGRQT-UHFFFAOYSA-N
MW193.12 g/mol
LogP-9.01
Rot. Bonds1

About 2-hydroxyethylazanium;trimethylazanium;dichloride

2-hydroxyethylazanium;trimethylazanium;dichloride (PubChem CID 172796747) has the molecular formula C5H18Cl2N2O and a molecular weight of 193.12 g/mol. Its IUPAC name is 2-hydroxyethylazanium;trimethylazanium;dichloride.

Molecular Properties

Compound Name2-hydroxyethylazanium;trimethylazanium;dichloride
PubChem CID172796747
Molecular FormulaC5H18Cl2N2O
Molecular Weight193.12 g/mol
Exact Mass192.08
IUPAC Name2-hydroxyethylazanium;trimethylazanium;dichloride
SMILESC[NH+](C)C.[Cl-].[Cl-].[NH3+]CCO
InChIInChI=1S/C3H9N.C2H7NO.2ClH/c1-4(2)3;3-1-2-4;;/h1-3H3;4H,1-3H2;2*1H
InChIKeyQHPFCLQBWUGRQT-UHFFFAOYSA-N
XLogP-9.01
TPSA52.31 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 5-9.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 177256523
octakis(trimethylazanium);octachloride
CID 139213235
ethylazanium;trimethylazanium;diiodide
CID 172824099
trimethylazanium;chloride;hydroiodide
CID 159092096
trimethylazanium;chloride;iodide
CID 23620613
4-hydroxybutyl(dimethyl)azanium chloride
CID 174716092
bis(propan-1-ol);yttrium
CID 20652670
bis(2-hydroxyethyl)azanium;[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium;2-hydroxyethylazanium;2-hydroxyethyl(dimethyl)azanium;tris(2-hydroxyethyl)azanium
CID 161327408
azanide;bis(2-hydroxyethyl(dimethyl)azanium)
CID 140518381
3-[bis(2-hydroxyethyl)amino]propylazanium
CID 3282904
bis(ethane-1,2-diol);bis(propan-2-one)
CID 158462178
tris(propan-1-ol);zirconium;chloride
CID 18944786

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethylazanium;trimethylazanium;dichloride?
The IUPAC name of 2-hydroxyethylazanium;trimethylazanium;dichloride (CID 172796747) is 2-hydroxyethylazanium;trimethylazanium;dichloride.
What is the SMILES notation for 2-hydroxyethylazanium;trimethylazanium;dichloride?
The canonical SMILES for 2-hydroxyethylazanium;trimethylazanium;dichloride is C[NH+](C)C.[Cl-].[Cl-].[NH3+]CCO.
What is the InChIKey of 2-hydroxyethylazanium;trimethylazanium;dichloride?
The InChIKey is QHPFCLQBWUGRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C2H7NO.2ClH/c1-4(2)3;3-1-2-4;;/h1-3H3;4H,1-3H2;2*1H.
What are the key properties of 2-hydroxyethylazanium;trimethylazanium;dichloride?
2-hydroxyethylazanium;trimethylazanium;dichloride has a molecular weight of 193.12 g/mol, XLogP of -9.01, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethylazanium;trimethylazanium;dichloride is sourced from PubChem (CID 172796747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).