1-(dimethylaminooxy)ethanamine

C4H12N2O — CID 23544690

IUPAC1-(dimethylaminooxy)ethanamine
SMILESCC(N)ON(C)C
InChIInChI=1S/C4H12N2O/c1-4(5)7-6(2)3/h4H,5H2,1-3H3
InChIKeyMREQEXWJVHLOTM-UHFFFAOYSA-N
MW104.15 g/mol
LogP-0.22
Rot. Bonds2

About 1-(dimethylaminooxy)ethanamine

1-(dimethylaminooxy)ethanamine (PubChem CID 23544690) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is 1-(dimethylaminooxy)ethanamine.

Molecular Properties

Compound Name1-(dimethylaminooxy)ethanamine
PubChem CID23544690
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC Name1-(dimethylaminooxy)ethanamine
SMILESCC(N)ON(C)C
InChIInChI=1S/C4H12N2O/c1-4(5)7-6(2)3/h4H,5H2,1-3H3
InChIKeyMREQEXWJVHLOTM-UHFFFAOYSA-N
XLogP-0.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(dimethylaminooxy)ethanamine?
The IUPAC name of 1-(dimethylaminooxy)ethanamine (CID 23544690) is 1-(dimethylaminooxy)ethanamine.
What is the SMILES notation for 1-(dimethylaminooxy)ethanamine?
The canonical SMILES for 1-(dimethylaminooxy)ethanamine is CC(N)ON(C)C.
What is the InChIKey of 1-(dimethylaminooxy)ethanamine?
The InChIKey is MREQEXWJVHLOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O/c1-4(5)7-6(2)3/h4H,5H2,1-3H3.
What are the key properties of 1-(dimethylaminooxy)ethanamine?
1-(dimethylaminooxy)ethanamine has a molecular weight of 104.15 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylaminooxy)ethanamine is sourced from PubChem (CID 23544690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).