2-aminooxyethyl(trimethyl)azanium chloride

C5H15ClN2O — CID 57455275

IUPAC2-aminooxyethyl(trimethyl)azanium chloride
SMILESC[N+](C)(C)CCON.[Cl-]
InChIInChI=1S/C5H15N2O.ClH/c1-7(2,3)4-5-8-6;/h4-6H2,1-3H3;1H/q+1;/p-1
InChIKeyUFKRWQJLULVGGC-UHFFFAOYSA-M
MW154.64 g/mol
LogP-3.41
Rot. Bonds3

About 2-aminooxyethyl(trimethyl)azanium chloride

2-aminooxyethyl(trimethyl)azanium chloride (PubChem CID 57455275) has the molecular formula C5H15ClN2O and a molecular weight of 154.64 g/mol. Its IUPAC name is 2-aminooxyethyl(trimethyl)azanium chloride.

Molecular Properties

Compound Name2-aminooxyethyl(trimethyl)azanium chloride
PubChem CID57455275
Molecular FormulaC5H15ClN2O
Molecular Weight154.64 g/mol
Exact Mass154.09
IUPAC Name2-aminooxyethyl(trimethyl)azanium chloride
SMILESC[N+](C)(C)CCON.[Cl-]
InChIInChI=1S/C5H15N2O.ClH/c1-7(2,3)4-5-8-6;/h4-6H2,1-3H3;1H/q+1;/p-1
InChIKeyUFKRWQJLULVGGC-UHFFFAOYSA-M
XLogP-3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.64
LogP ≤ 5-3.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminooxyethyl(trimethyl)azanium chloride?
The IUPAC name of 2-aminooxyethyl(trimethyl)azanium chloride (CID 57455275) is 2-aminooxyethyl(trimethyl)azanium chloride.
What is the SMILES notation for 2-aminooxyethyl(trimethyl)azanium chloride?
The canonical SMILES for 2-aminooxyethyl(trimethyl)azanium chloride is C[N+](C)(C)CCON.[Cl-].
What is the InChIKey of 2-aminooxyethyl(trimethyl)azanium chloride?
The InChIKey is UFKRWQJLULVGGC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H15N2O.ClH/c1-7(2,3)4-5-8-6;/h4-6H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 2-aminooxyethyl(trimethyl)azanium chloride?
2-aminooxyethyl(trimethyl)azanium chloride has a molecular weight of 154.64 g/mol, XLogP of -3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxyethyl(trimethyl)azanium chloride is sourced from PubChem (CID 57455275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).