2-[methoxy(methyl)amino]acetaldehyde

C4H9NO2 — CID 87956283

IUPAC2-[methoxy(methyl)amino]acetaldehyde
SMILESCON(C)CC=O
InChIInChI=1S/C4H9NO2/c1-5(7-2)3-4-6/h4H,3H2,1-2H3
InChIKeyJJEDSOPYHZQMLI-UHFFFAOYSA-N
MW103.12 g/mol
LogP-0.32
Rot. Bonds3

About 2-[methoxy(methyl)amino]acetaldehyde

2-[methoxy(methyl)amino]acetaldehyde (PubChem CID 87956283) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is 2-[methoxy(methyl)amino]acetaldehyde.

Molecular Properties

Compound Name2-[methoxy(methyl)amino]acetaldehyde
PubChem CID87956283
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name2-[methoxy(methyl)amino]acetaldehyde
SMILESCON(C)CC=O
InChIInChI=1S/C4H9NO2/c1-5(7-2)3-4-6/h4H,3H2,1-2H3
InChIKeyJJEDSOPYHZQMLI-UHFFFAOYSA-N
XLogP-0.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(2-oxoethyl)acetamide
CID 15885752
2-[methoxy(methyl)amino]acetyl chloride
CID 22945139
ethyl N-methyl-N-(2-oxoethyl)carbamate
CID 126971639
3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile
CID 63285436
3-methoxypropanal;titanium
CID 87154259
dimethylamino(2-oxoethyl)carbamic acid
CID 87411487
N,N'-dimethyl-N'-(2-oxoethyl)acetohydrazide
CID 174398754
N-(cyanomethyl)-N-(2-oxoethyl)propanamide;methoxymethane
CID 144792557
2-chloroacetaldehyde;N,N-dimethylmethanamine
CID 174354927
2-(5-bromo-2-methoxy-N,3,4,6-tetramethylanilino)acetaldehyde
CID 115222859
2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde
CID 165107258
2-[2-hydroxyethyl(methyl)amino]acetaldehyde;methoxy hydrogen sulfate
CID 173125507

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(methyl)amino]acetaldehyde?
The IUPAC name of 2-[methoxy(methyl)amino]acetaldehyde (CID 87956283) is 2-[methoxy(methyl)amino]acetaldehyde.
What is the SMILES notation for 2-[methoxy(methyl)amino]acetaldehyde?
The canonical SMILES for 2-[methoxy(methyl)amino]acetaldehyde is CON(C)CC=O.
What is the InChIKey of 2-[methoxy(methyl)amino]acetaldehyde?
The InChIKey is JJEDSOPYHZQMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-5(7-2)3-4-6/h4H,3H2,1-2H3.
What are the key properties of 2-[methoxy(methyl)amino]acetaldehyde?
2-[methoxy(methyl)amino]acetaldehyde has a molecular weight of 103.12 g/mol, XLogP of -0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(methyl)amino]acetaldehyde is sourced from PubChem (CID 87956283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).