1-ethoxy-3-(methylamino)propan-2-one

C6H13NO2 — CID 116553693

IUPAC1-ethoxy-3-(methylamino)propan-2-one
SMILESCCOCC(=O)CNC
InChIInChI=1S/C6H13NO2/c1-3-9-5-6(8)4-7-2/h7H,3-5H2,1-2H3
InChIKeyDEJZPQHQRKGXFO-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.19
Rot. Bonds5

About 1-ethoxy-3-(methylamino)propan-2-one

1-ethoxy-3-(methylamino)propan-2-one (PubChem CID 116553693) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-ethoxy-3-(methylamino)propan-2-one.

Molecular Properties

Compound Name1-ethoxy-3-(methylamino)propan-2-one
PubChem CID116553693
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name1-ethoxy-3-(methylamino)propan-2-one
SMILESCCOCC(=O)CNC
InChIInChI=1S/C6H13NO2/c1-3-9-5-6(8)4-7-2/h7H,3-5H2,1-2H3
InChIKeyDEJZPQHQRKGXFO-UHFFFAOYSA-N
XLogP-0.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-ethoxy-3-oxobutanoate
CID 54303951
1-(methylamino)-3-phenylmethoxypropan-2-one
CID 143048834
1-aminooxy-3-ethoxypropan-2-one
CID 163799340
ethyl 5-ethoxy-2,4-dioxopentanoate
CID 88913008
ethene;2-ethoxy-N-methylacetamide
CID 123508760
2-ethoxyacetic acid
CID 159744705
bis(4-ethoxybutane-1,3-dione);titanium(2+)
CID 158401883
1-ethoxy-3-ethylsulfanylpropan-2-one
CID 79567290
1-ethoxy-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575344
ethyl 2-[(4-ethoxy-3-oxobutyl)amino]acetate
CID 163862980
1-ethoxypropan-2-yl 2-(methylamino)acetate
CID 103489136
1-ethoxy-4-methyliminohexane-2,5-dione
CID 23397368

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(methylamino)propan-2-one?
The IUPAC name of 1-ethoxy-3-(methylamino)propan-2-one (CID 116553693) is 1-ethoxy-3-(methylamino)propan-2-one.
What is the SMILES notation for 1-ethoxy-3-(methylamino)propan-2-one?
The canonical SMILES for 1-ethoxy-3-(methylamino)propan-2-one is CCOCC(=O)CNC.
What is the InChIKey of 1-ethoxy-3-(methylamino)propan-2-one?
The InChIKey is DEJZPQHQRKGXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-9-5-6(8)4-7-2/h7H,3-5H2,1-2H3.
What are the key properties of 1-ethoxy-3-(methylamino)propan-2-one?
1-ethoxy-3-(methylamino)propan-2-one has a molecular weight of 131.18 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(methylamino)propan-2-one is sourced from PubChem (CID 116553693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).