(2-amino-2-hydroxyiminoethyl)-triethylazanium chloride

C8H20ClN3O — CID 85039051

IUPAC(2-amino-2-hydroxyiminoethyl)-triethylazanium chloride
SMILESCC[N+](CC)(CC)CC(N)=NO.[Cl-]
InChIInChI=1S/C8H19N3O.ClH/c1-4-11(5-2,6-3)7-8(9)10-12;/h4-7H2,1-3H3,(H2-,9,10,12);1H
InChIKeyDQAXKKDKFHBXBS-UHFFFAOYSA-N
MW209.72 g/mol
LogP-2.39
Rot. Bonds5

About (2-amino-2-hydroxyiminoethyl)-triethylazanium chloride

(2-amino-2-hydroxyiminoethyl)-triethylazanium chloride (PubChem CID 85039051) has the molecular formula C8H20ClN3O and a molecular weight of 209.72 g/mol. Its IUPAC name is (2-amino-2-hydroxyiminoethyl)-triethylazanium chloride.

Molecular Properties

Compound Name(2-amino-2-hydroxyiminoethyl)-triethylazanium chloride
PubChem CID85039051
Molecular FormulaC8H20ClN3O
Molecular Weight209.72 g/mol
Exact Mass209.13
IUPAC Name(2-amino-2-hydroxyiminoethyl)-triethylazanium chloride
SMILESCC[N+](CC)(CC)CC(N)=NO.[Cl-]
InChIInChI=1S/C8H19N3O.ClH/c1-4-11(5-2,6-3)7-8(9)10-12;/h4-7H2,1-3H3,(H2-,9,10,12);1H
InChIKeyDQAXKKDKFHBXBS-UHFFFAOYSA-N
XLogP-2.39
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 5-2.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'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-amino-2-hydroxyiminoethyl)-triethylazanium chloride?
The IUPAC name of (2-amino-2-hydroxyiminoethyl)-triethylazanium chloride (CID 85039051) is (2-amino-2-hydroxyiminoethyl)-triethylazanium chloride.
What is the SMILES notation for (2-amino-2-hydroxyiminoethyl)-triethylazanium chloride?
The canonical SMILES for (2-amino-2-hydroxyiminoethyl)-triethylazanium chloride is CC[N+](CC)(CC)CC(N)=NO.[Cl-].
What is the InChIKey of (2-amino-2-hydroxyiminoethyl)-triethylazanium chloride?
The InChIKey is DQAXKKDKFHBXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O.ClH/c1-4-11(5-2,6-3)7-8(9)10-12;/h4-7H2,1-3H3,(H2-,9,10,12);1H.
What are the key properties of (2-amino-2-hydroxyiminoethyl)-triethylazanium chloride?
(2-amino-2-hydroxyiminoethyl)-triethylazanium chloride has a molecular weight of 209.72 g/mol, XLogP of -2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-hydroxyiminoethyl)-triethylazanium chloride is sourced from PubChem (CID 85039051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).