2-[ethyl(2-hydroxyethyl)amino]acetaldehyde

C6H13NO2 — CID 23554328

IUPAC2-[ethyl(2-hydroxyethyl)amino]acetaldehyde
SMILESCCN(CC=O)CCO
InChIInChI=1S/C6H13NO2/c1-2-7(3-5-8)4-6-9/h5,9H,2-4,6H2,1H3
InChIKeyMPXNQPLQJYOTEA-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.50
Rot. Bonds5

About 2-[ethyl(2-hydroxyethyl)amino]acetaldehyde

2-[ethyl(2-hydroxyethyl)amino]acetaldehyde (PubChem CID 23554328) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]acetaldehyde.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]acetaldehyde
PubChem CID23554328
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]acetaldehyde
SMILESCCN(CC=O)CCO
InChIInChI=1S/C6H13NO2/c1-2-7(3-5-8)4-6-9/h5,9H,2-4,6H2,1H3
InChIKeyMPXNQPLQJYOTEA-UHFFFAOYSA-N
XLogP-0.50
TPSA40.54 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 ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[ethyl(2-hydroxyethyl)amino]acetaldehyde?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]acetaldehyde (CID 23554328) is 2-[ethyl(2-hydroxyethyl)amino]acetaldehyde.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]acetaldehyde?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]acetaldehyde is CCN(CC=O)CCO.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]acetaldehyde?
The InChIKey is MPXNQPLQJYOTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-7(3-5-8)4-6-9/h5,9H,2-4,6H2,1H3.
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]acetaldehyde?
2-[ethyl(2-hydroxyethyl)amino]acetaldehyde has a molecular weight of 131.18 g/mol, XLogP of -0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]acetaldehyde is sourced from PubChem (CID 23554328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).