2-hydroxyethyl(dimethyl)azanium

C4H12NO+ — CID 5249138

IUPAC2-hydroxyethyl(dimethyl)azanium
SMILESC[NH+](C)CCO
InChIInChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3/p+1
InChIKeyUEEJHVSXFDXPFK-UHFFFAOYSA-O
MW90.15 g/mol
LogP-1.88
Rot. Bonds2

About 2-hydroxyethyl(dimethyl)azanium

2-hydroxyethyl(dimethyl)azanium (PubChem CID 5249138) has the molecular formula C4H12NO+ and a molecular weight of 90.15 g/mol. Its IUPAC name is 2-hydroxyethyl(dimethyl)azanium.

Molecular Properties

Compound Name2-hydroxyethyl(dimethyl)azanium
PubChem CID5249138
Molecular FormulaC4H12NO+
Molecular Weight90.15 g/mol
Exact Mass90.09
IUPAC Name2-hydroxyethyl(dimethyl)azanium
SMILESC[NH+](C)CCO
InChIInChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3/p+1
InChIKeyUEEJHVSXFDXPFK-UHFFFAOYSA-O
XLogP-1.88
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.15
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(dimethyl)azanium?
The IUPAC name of 2-hydroxyethyl(dimethyl)azanium (CID 5249138) is 2-hydroxyethyl(dimethyl)azanium.
What is the SMILES notation for 2-hydroxyethyl(dimethyl)azanium?
The canonical SMILES for 2-hydroxyethyl(dimethyl)azanium is C[NH+](C)CCO.
What is the InChIKey of 2-hydroxyethyl(dimethyl)azanium?
The InChIKey is UEEJHVSXFDXPFK-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3/p+1.
What are the key properties of 2-hydroxyethyl(dimethyl)azanium?
2-hydroxyethyl(dimethyl)azanium has a molecular weight of 90.15 g/mol, XLogP of -1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(dimethyl)azanium is sourced from PubChem (CID 5249138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).