2-(methylamino)acetaldehyde

C3H7NO — CID 13316132

IUPAC2-(methylamino)acetaldehyde
SMILESCNCC=O
InChIInChI=1S/C3H7NO/c1-4-2-3-5/h3-4H,2H2,1H3
InChIKeyKZMQZFPRPILIHO-UHFFFAOYSA-N
MW73.09 g/mol
LogP-0.60
Rot. Bonds2

About 2-(methylamino)acetaldehyde

2-(methylamino)acetaldehyde (PubChem CID 13316132) has the molecular formula C3H7NO and a molecular weight of 73.09 g/mol. Its IUPAC name is 2-(methylamino)acetaldehyde.

Molecular Properties

Compound Name2-(methylamino)acetaldehyde
PubChem CID13316132
Molecular FormulaC3H7NO
Molecular Weight73.09 g/mol
Exact Mass73.05
IUPAC Name2-(methylamino)acetaldehyde
SMILESCNCC=O
InChIInChI=1S/C3H7NO/c1-4-2-3-5/h3-4H,2H2,1H3
InChIKeyKZMQZFPRPILIHO-UHFFFAOYSA-N
XLogP-0.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.09
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)acetaldehyde?
The IUPAC name of 2-(methylamino)acetaldehyde (CID 13316132) is 2-(methylamino)acetaldehyde.
What is the SMILES notation for 2-(methylamino)acetaldehyde?
The canonical SMILES for 2-(methylamino)acetaldehyde is CNCC=O.
What is the InChIKey of 2-(methylamino)acetaldehyde?
The InChIKey is KZMQZFPRPILIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO/c1-4-2-3-5/h3-4H,2H2,1H3.
What are the key properties of 2-(methylamino)acetaldehyde?
2-(methylamino)acetaldehyde has a molecular weight of 73.09 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)acetaldehyde is sourced from PubChem (CID 13316132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).