[(2E)-2-amino-2-hydroxyiminoethyl]-triethylazanium

C8H20N3O+ — CID 5389003

IUPAC[(2E)-2-amino-2-hydroxyiminoethyl]-triethylazanium
SMILESCC[N+](CC)(CC)C/C(N)=N\O
InChIInChI=1S/C8H19N3O/c1-4-11(5-2,6-3)7-8(9)10-12/h4-7H2,1-3H3,(H2-,9,10,12)/p+1
InChIKeyGFSNZMNWPAVECW-UHFFFAOYSA-O
MW174.27 g/mol
LogP0.61
Rot. Bonds5

About [(2E)-2-amino-2-hydroxyiminoethyl]-triethylazanium

[(2E)-2-amino-2-hydroxyiminoethyl]-triethylazanium (PubChem CID 5389003) has the molecular formula C8H20N3O+ and a molecular weight of 174.27 g/mol. Its IUPAC name is [(2E)-2-amino-2-hydroxyiminoethyl]-triethylazanium.

Molecular Properties

Compound Name[(2E)-2-amino-2-hydroxyiminoethyl]-triethylazanium
PubChem CID5389003
Molecular FormulaC8H20N3O+
Molecular Weight174.27 g/mol
Exact Mass174.16
IUPAC Name[(2E)-2-amino-2-hydroxyiminoethyl]-triethylazanium
SMILESCC[N+](CC)(CC)C/C(N)=N\O
InChIInChI=1S/C8H19N3O/c1-4-11(5-2,6-3)7-8(9)10-12/h4-7H2,1-3H3,(H2-,9,10,12)/p+1
InChIKeyGFSNZMNWPAVECW-UHFFFAOYSA-O
XLogP0.61
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.61
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 [(2E)-2-amino-2-hydroxyiminoethyl]-triethylazanium?
The IUPAC name of [(2E)-2-amino-2-hydroxyiminoethyl]-triethylazanium (CID 5389003) is [(2E)-2-amino-2-hydroxyiminoethyl]-triethylazanium.
What is the SMILES notation for [(2E)-2-amino-2-hydroxyiminoethyl]-triethylazanium?
The canonical SMILES for [(2E)-2-amino-2-hydroxyiminoethyl]-triethylazanium is CC[N+](CC)(CC)C/C(N)=N\O.
What is the InChIKey of [(2E)-2-amino-2-hydroxyiminoethyl]-triethylazanium?
The InChIKey is GFSNZMNWPAVECW-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H19N3O/c1-4-11(5-2,6-3)7-8(9)10-12/h4-7H2,1-3H3,(H2-,9,10,12)/p+1.
What are the key properties of [(2E)-2-amino-2-hydroxyiminoethyl]-triethylazanium?
[(2E)-2-amino-2-hydroxyiminoethyl]-triethylazanium has a molecular weight of 174.27 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-amino-2-hydroxyiminoethyl]-triethylazanium is sourced from PubChem (CID 5389003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).