N,N-diethoxyhydroxylamine

C4H11NO3 — CID 21414151

IUPACN,N-diethoxyhydroxylamine
SMILESCCON(O)OCC
InChIInChI=1S/C4H11NO3/c1-3-7-5(6)8-4-2/h6H,3-4H2,1-2H3
InChIKeyJZQLBUBUZLIUGX-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.58
Rot. Bonds4

About N,N-diethoxyhydroxylamine

N,N-diethoxyhydroxylamine (PubChem CID 21414151) has the molecular formula C4H11NO3 and a molecular weight of 121.14 g/mol. Its IUPAC name is N,N-diethoxyhydroxylamine.

Molecular Properties

Compound NameN,N-diethoxyhydroxylamine
PubChem CID21414151
Molecular FormulaC4H11NO3
Molecular Weight121.14 g/mol
Exact Mass121.07
IUPAC NameN,N-diethoxyhydroxylamine
SMILESCCON(O)OCC
InChIInChI=1S/C4H11NO3/c1-3-7-5(6)8-4-2/h6H,3-4H2,1-2H3
InChIKeyJZQLBUBUZLIUGX-UHFFFAOYSA-N
XLogP0.58
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethoxyhydroxylamine?
The IUPAC name of N,N-diethoxyhydroxylamine (CID 21414151) is N,N-diethoxyhydroxylamine.
What is the SMILES notation for N,N-diethoxyhydroxylamine?
The canonical SMILES for N,N-diethoxyhydroxylamine is CCON(O)OCC.
What is the InChIKey of N,N-diethoxyhydroxylamine?
The InChIKey is JZQLBUBUZLIUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3/c1-3-7-5(6)8-4-2/h6H,3-4H2,1-2H3.
What are the key properties of N,N-diethoxyhydroxylamine?
N,N-diethoxyhydroxylamine has a molecular weight of 121.14 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethoxyhydroxylamine is sourced from PubChem (CID 21414151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).