2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride

C7H21ClN2O3 — CID 159922681

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride
SMILESC[NH3+].OCCN(CCO)CCO.[Cl-]
InChIInChI=1S/C6H15NO3.CH5N.ClH/c8-4-1-7(2-5-9)3-6-10;1-2;/h8-10H,1-6H2;2H2,1H3;1H
InChIKeyNYPMOPCOFUOKOS-UHFFFAOYSA-N
MW216.71 g/mol
LogP-5.87
Rot. Bonds6

About 2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride

2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride (PubChem CID 159922681) has the molecular formula C7H21ClN2O3 and a molecular weight of 216.71 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride
PubChem CID159922681
Molecular FormulaC7H21ClN2O3
Molecular Weight216.71 g/mol
Exact Mass216.12
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride
SMILESC[NH3+].OCCN(CCO)CCO.[Cl-]
InChIInChI=1S/C6H15NO3.CH5N.ClH/c8-4-1-7(2-5-9)3-6-10;1-2;/h8-10H,1-6H2;2H2,1H3;1H
InChIKeyNYPMOPCOFUOKOS-UHFFFAOYSA-N
XLogP-5.87
TPSA91.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 5-5.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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copper 2-[bis(2-hydroxyethyl)amino]ethanol
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2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755
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CID 159789530
3-[bis(2-hydroxyethyl)amino]propylazanium
CID 3282904
2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)
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2-[bis(2-hydroxyethyl)amino]ethanol;copper;hydrate
CID 88718210
2-[bis(2-hydroxyethyl)amino]ethanol;ethanamine
CID 160554975

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride (CID 159922681) is 2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride is C[NH3+].OCCN(CCO)CCO.[Cl-].
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride?
The InChIKey is NYPMOPCOFUOKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.CH5N.ClH/c8-4-1-7(2-5-9)3-6-10;1-2;/h8-10H,1-6H2;2H2,1H3;1H.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride?
2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride has a molecular weight of 216.71 g/mol, XLogP of -5.87, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride is sourced from PubChem (CID 159922681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).