2-(ethylamino)acetaldehyde

C4H9NO — CID 20548464

IUPAC2-(ethylamino)acetaldehyde
SMILESCCNCC=O
InChIInChI=1S/C4H9NO/c1-2-5-3-4-6/h4-5H,2-3H2,1H3
InChIKeyILGDOMACGBCIPG-UHFFFAOYSA-N
MW87.12 g/mol
LogP-0.21
Rot. Bonds3

About 2-(ethylamino)acetaldehyde

2-(ethylamino)acetaldehyde (PubChem CID 20548464) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 2-(ethylamino)acetaldehyde.

Molecular Properties

Compound Name2-(ethylamino)acetaldehyde
PubChem CID20548464
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name2-(ethylamino)acetaldehyde
SMILESCCNCC=O
InChIInChI=1S/C4H9NO/c1-2-5-3-4-6/h4-5H,2-3H2,1H3
InChIKeyILGDOMACGBCIPG-UHFFFAOYSA-N
XLogP-0.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(ethylamino)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)acetaldehyde?
The IUPAC name of 2-(ethylamino)acetaldehyde (CID 20548464) is 2-(ethylamino)acetaldehyde.
What is the SMILES notation for 2-(ethylamino)acetaldehyde?
The canonical SMILES for 2-(ethylamino)acetaldehyde is CCNCC=O.
What is the InChIKey of 2-(ethylamino)acetaldehyde?
The InChIKey is ILGDOMACGBCIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-2-5-3-4-6/h4-5H,2-3H2,1H3.
What are the key properties of 2-(ethylamino)acetaldehyde?
2-(ethylamino)acetaldehyde has a molecular weight of 87.12 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)acetaldehyde is sourced from PubChem (CID 20548464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).