2-(2-hydroxyethylamino)acetaldehyde

C4H9NO2 — CID 23554324

IUPAC2-(2-hydroxyethylamino)acetaldehyde
SMILESO=CCNCCO
InChIInChI=1S/C4H9NO2/c6-3-1-5-2-4-7/h3,5,7H,1-2,4H2
InChIKeyBKSKQIPHTTWTDW-UHFFFAOYSA-N
MW103.12 g/mol
LogP-1.23
Rot. Bonds4

About 2-(2-hydroxyethylamino)acetaldehyde

2-(2-hydroxyethylamino)acetaldehyde (PubChem CID 23554324) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)acetaldehyde.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)acetaldehyde
PubChem CID23554324
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name2-(2-hydroxyethylamino)acetaldehyde
SMILESO=CCNCCO
InChIInChI=1S/C4H9NO2/c6-3-1-5-2-4-7/h3,5,7H,1-2,4H2
InChIKeyBKSKQIPHTTWTDW-UHFFFAOYSA-N
XLogP-1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)acetaldehyde?
The IUPAC name of 2-(2-hydroxyethylamino)acetaldehyde (CID 23554324) is 2-(2-hydroxyethylamino)acetaldehyde.
What is the SMILES notation for 2-(2-hydroxyethylamino)acetaldehyde?
The canonical SMILES for 2-(2-hydroxyethylamino)acetaldehyde is O=CCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)acetaldehyde?
The InChIKey is BKSKQIPHTTWTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c6-3-1-5-2-4-7/h3,5,7H,1-2,4H2.
What are the key properties of 2-(2-hydroxyethylamino)acetaldehyde?
2-(2-hydroxyethylamino)acetaldehyde has a molecular weight of 103.12 g/mol, XLogP of -1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)acetaldehyde is sourced from PubChem (CID 23554324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).