2-hydroxyethyl(methyl)azanium

C3H10NO+ — CID 6994314

IUPAC2-hydroxyethyl(methyl)azanium
SMILESC[NH2+]CCO
InChIInChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3/p+1
InChIKeyOPKOKAMJFNKNAS-UHFFFAOYSA-O
MW76.12 g/mol
LogP-1.83
Rot. Bonds2

About 2-hydroxyethyl(methyl)azanium

2-hydroxyethyl(methyl)azanium (PubChem CID 6994314) has the molecular formula C3H10NO+ and a molecular weight of 76.12 g/mol. Its IUPAC name is 2-hydroxyethyl(methyl)azanium.

Molecular Properties

Compound Name2-hydroxyethyl(methyl)azanium
PubChem CID6994314
Molecular FormulaC3H10NO+
Molecular Weight76.12 g/mol
Exact Mass76.08
IUPAC Name2-hydroxyethyl(methyl)azanium
SMILESC[NH2+]CCO
InChIInChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3/p+1
InChIKeyOPKOKAMJFNKNAS-UHFFFAOYSA-O
XLogP-1.83
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.12
LogP ≤ 5-1.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(methyl)azanium?
The IUPAC name of 2-hydroxyethyl(methyl)azanium (CID 6994314) is 2-hydroxyethyl(methyl)azanium.
What is the SMILES notation for 2-hydroxyethyl(methyl)azanium?
The canonical SMILES for 2-hydroxyethyl(methyl)azanium is C[NH2+]CCO.
What is the InChIKey of 2-hydroxyethyl(methyl)azanium?
The InChIKey is OPKOKAMJFNKNAS-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3/p+1.
What are the key properties of 2-hydroxyethyl(methyl)azanium?
2-hydroxyethyl(methyl)azanium has a molecular weight of 76.12 g/mol, XLogP of -1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(methyl)azanium is sourced from PubChem (CID 6994314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).