N-(2,2-dimethoxyethyl)hydroxylamine

C4H11NO3 — CID 21318341

IUPACN-(2,2-dimethoxyethyl)hydroxylamine
SMILESCOC(CNO)OC
InChIInChI=1S/C4H11NO3/c1-7-4(8-2)3-5-6/h4-6H,3H2,1-2H3
InChIKeyRELIMSUFOLCAFG-UHFFFAOYSA-N
MW121.14 g/mol
LogP-0.42
Rot. Bonds4

About N-(2,2-dimethoxyethyl)hydroxylamine

N-(2,2-dimethoxyethyl)hydroxylamine (PubChem CID 21318341) has the molecular formula C4H11NO3 and a molecular weight of 121.14 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)hydroxylamine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)hydroxylamine
PubChem CID21318341
Molecular FormulaC4H11NO3
Molecular Weight121.14 g/mol
Exact Mass121.07
IUPAC NameN-(2,2-dimethoxyethyl)hydroxylamine
SMILESCOC(CNO)OC
InChIInChI=1S/C4H11NO3/c1-7-4(8-2)3-5-6/h4-6H,3H2,1-2H3
InChIKeyRELIMSUFOLCAFG-UHFFFAOYSA-N
XLogP-0.42
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)hydroxylamine?
The IUPAC name of N-(2,2-dimethoxyethyl)hydroxylamine (CID 21318341) is N-(2,2-dimethoxyethyl)hydroxylamine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)hydroxylamine?
The canonical SMILES for N-(2,2-dimethoxyethyl)hydroxylamine is COC(CNO)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)hydroxylamine?
The InChIKey is RELIMSUFOLCAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3/c1-7-4(8-2)3-5-6/h4-6H,3H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)hydroxylamine?
N-(2,2-dimethoxyethyl)hydroxylamine has a molecular weight of 121.14 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)hydroxylamine is sourced from PubChem (CID 21318341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).