tris(2-hydroxyethyl)-methylazanium

C7H18NO3+ — CID 23438

IUPACtris(2-hydroxyethyl)-methylazanium
SMILESC[N+](CCO)(CCO)CCO
InChIInChI=1S/C7H18NO3/c1-8(2-5-9,3-6-10)4-7-11/h9-11H,2-7H2,1H3/q+1
InChIKeyFVJLCPJDDAGIJE-UHFFFAOYSA-N
MW164.22 g/mol
LogP-1.59
Rot. Bonds6

About tris(2-hydroxyethyl)-methylazanium

tris(2-hydroxyethyl)-methylazanium (PubChem CID 23438) has the molecular formula C7H18NO3+ and a molecular weight of 164.22 g/mol. Its IUPAC name is tris(2-hydroxyethyl)-methylazanium.

Molecular Properties

Compound Nametris(2-hydroxyethyl)-methylazanium
PubChem CID23438
Molecular FormulaC7H18NO3+
Molecular Weight164.22 g/mol
Exact Mass164.13
IUPAC Nametris(2-hydroxyethyl)-methylazanium
SMILESC[N+](CCO)(CCO)CCO
InChIInChI=1S/C7H18NO3/c1-8(2-5-9,3-6-10)4-7-11/h9-11H,2-7H2,1H3/q+1
InChIKeyFVJLCPJDDAGIJE-UHFFFAOYSA-N
XLogP-1.59
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2-hydroxyethyl)-methylazanium?
The IUPAC name of tris(2-hydroxyethyl)-methylazanium (CID 23438) is tris(2-hydroxyethyl)-methylazanium.
What is the SMILES notation for tris(2-hydroxyethyl)-methylazanium?
The canonical SMILES for tris(2-hydroxyethyl)-methylazanium is C[N+](CCO)(CCO)CCO.
What is the InChIKey of tris(2-hydroxyethyl)-methylazanium?
The InChIKey is FVJLCPJDDAGIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO3/c1-8(2-5-9,3-6-10)4-7-11/h9-11H,2-7H2,1H3/q+1.
What are the key properties of tris(2-hydroxyethyl)-methylazanium?
tris(2-hydroxyethyl)-methylazanium has a molecular weight of 164.22 g/mol, XLogP of -1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-hydroxyethyl)-methylazanium is sourced from PubChem (CID 23438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).