hydroxylamine;tetraethylazanium;hydrate

C8H25N2O2+ — CID 174752646

IUPAChydroxylamine;tetraethylazanium;hydrate
SMILESCC[N+](CC)(CC)CC.NO.O
InChIInChI=1S/C8H20N.H3NO.H2O/c1-5-9(6-2,7-3)8-4;1-2;/h5-8H2,1-4H3;2H,1H2;1H2/q+1;;
InChIKeyUCYKQOXZBIJFSI-UHFFFAOYSA-N
MW181.30 g/mol
LogP0.39
Rot. Bonds4

About hydroxylamine;tetraethylazanium;hydrate

hydroxylamine;tetraethylazanium;hydrate (PubChem CID 174752646) has the molecular formula C8H25N2O2+ and a molecular weight of 181.30 g/mol. Its IUPAC name is hydroxylamine;tetraethylazanium;hydrate.

Molecular Properties

Compound Namehydroxylamine;tetraethylazanium;hydrate
PubChem CID174752646
Molecular FormulaC8H25N2O2+
Molecular Weight181.30 g/mol
Exact Mass181.19
IUPAC Namehydroxylamine;tetraethylazanium;hydrate
SMILESCC[N+](CC)(CC)CC.NO.O
InChIInChI=1S/C8H20N.H3NO.H2O/c1-5-9(6-2,7-3)8-4;1-2;/h5-8H2,1-4H3;2H,1H2;1H2/q+1;;
InChIKeyUCYKQOXZBIJFSI-UHFFFAOYSA-N
XLogP0.39
TPSA77.75 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
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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Related Compounds

tetraethylazanium;fluoride;dihydrate
CID 2776564
methanol;tetraethylazanium;hydroxide
CID 159654840
iron(2+);tetraethylazanium
CID 159930273
tetraethylazanium hydroxide
CID 6509
tetraethylazanium;urea;hydroxide
CID 175541942
hydrogen borate;bis(tetraethylazanium);hydrate
CID 158878583
carbamic acid;tetraethylazanium
CID 159284464
tris(tetraethylazanium);borate;hydrate
CID 162118496
propane-1,2-diol;tetraethylazanium;hydroxide
CID 175392137
methylazanium;tetraethylazanium;chloride;iodide
CID 172809050
triethyl-[2-(triethylazaniumyl)ethyl]azanium bromide
CID 54612490
tetraethylazanium;trihydroxy(oxido)silane
CID 173007855

Frequently Asked Questions

What is the IUPAC name of hydroxylamine;tetraethylazanium;hydrate?
The IUPAC name of hydroxylamine;tetraethylazanium;hydrate (CID 174752646) is hydroxylamine;tetraethylazanium;hydrate.
What is the SMILES notation for hydroxylamine;tetraethylazanium;hydrate?
The canonical SMILES for hydroxylamine;tetraethylazanium;hydrate is CC[N+](CC)(CC)CC.NO.O.
What is the InChIKey of hydroxylamine;tetraethylazanium;hydrate?
The InChIKey is UCYKQOXZBIJFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.H3NO.H2O/c1-5-9(6-2,7-3)8-4;1-2;/h5-8H2,1-4H3;2H,1H2;1H2/q+1;;.
What are the key properties of hydroxylamine;tetraethylazanium;hydrate?
hydroxylamine;tetraethylazanium;hydrate has a molecular weight of 181.30 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxylamine;tetraethylazanium;hydrate is sourced from PubChem (CID 174752646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).