2-(dimethylaminooxy)ethanamine

C4H12N2O — CID 20569338

IUPAC2-(dimethylaminooxy)ethanamine
SMILESCN(C)OCCN
InChIInChI=1S/C4H12N2O/c1-6(2)7-4-3-5/h3-5H2,1-2H3
InChIKeyFUBPTVDGTHTREY-UHFFFAOYSA-N
MW104.15 g/mol
LogP-0.56
Rot. Bonds3

About 2-(dimethylaminooxy)ethanamine

2-(dimethylaminooxy)ethanamine (PubChem CID 20569338) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is 2-(dimethylaminooxy)ethanamine.

Molecular Properties

Compound Name2-(dimethylaminooxy)ethanamine
PubChem CID20569338
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC Name2-(dimethylaminooxy)ethanamine
SMILESCN(C)OCCN
InChIInChI=1S/C4H12N2O/c1-6(2)7-4-3-5/h3-5H2,1-2H3
InChIKeyFUBPTVDGTHTREY-UHFFFAOYSA-N
XLogP-0.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(dimethylaminooxy)ethanamine?
The IUPAC name of 2-(dimethylaminooxy)ethanamine (CID 20569338) is 2-(dimethylaminooxy)ethanamine.
What is the SMILES notation for 2-(dimethylaminooxy)ethanamine?
The canonical SMILES for 2-(dimethylaminooxy)ethanamine is CN(C)OCCN.
What is the InChIKey of 2-(dimethylaminooxy)ethanamine?
The InChIKey is FUBPTVDGTHTREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O/c1-6(2)7-4-3-5/h3-5H2,1-2H3.
What are the key properties of 2-(dimethylaminooxy)ethanamine?
2-(dimethylaminooxy)ethanamine has a molecular weight of 104.15 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylaminooxy)ethanamine is sourced from PubChem (CID 20569338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).