2-hydroxyethyl(trimethyl)azanium

C5H14NO+ — CID 305

IUPAC2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO
InChIInChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChIKeyOEYIOHPDSNJKLS-UHFFFAOYSA-N
MW104.17 g/mol
LogP-0.32
Rot. Bonds2

About 2-hydroxyethyl(trimethyl)azanium

2-hydroxyethyl(trimethyl)azanium (PubChem CID 305) has the molecular formula C5H14NO+ and a molecular weight of 104.17 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium
PubChem CID305
Molecular FormulaC5H14NO+
Molecular Weight104.17 g/mol
Exact Mass104.11
IUPAC Name2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO
InChIInChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChIKeyOEYIOHPDSNJKLS-UHFFFAOYSA-N
XLogP-0.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Triethanolamine
CID 7618
2-(Dimethylamino)ethanol
CID 7902
Choline Chloride
CID 6209
Diethylethanolamine
CID 7497
N-Methyldiethanolamine
CID 7767
Dimepranol
CID 37511
Choline, hydroxide
CID 31255
Ethyldiethanolamine
CID 8769
Choline C-11
CID 449688
Choline Bromide
CID 74724
Ethanaminium, N,N,N-triethyl-2-hydroxy-, iodide (1:1)
CID 80057
Choline iodide
CID 87300

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(trimethyl)azanium?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium (CID 305) is 2-hydroxyethyl(trimethyl)azanium.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium is C[N+](C)(C)CCO.
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium?
The InChIKey is OEYIOHPDSNJKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium?
2-hydroxyethyl(trimethyl)azanium has a molecular weight of 104.17 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium is sourced from PubChem (CID 305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).