3-[ethyl(3-oxopropyl)amino]propanal

C8H15NO2 — CID 88552208

IUPAC3-[ethyl(3-oxopropyl)amino]propanal
SMILESCCN(CCC=O)CCC=O
InChIInChI=1S/C8H15NO2/c1-2-9(5-3-7-10)6-4-8-11/h7-8H,2-6H2,1H3
InChIKeyBCELTHHHCCGDQH-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.49
Rot. Bonds7

About 3-[ethyl(3-oxopropyl)amino]propanal

3-[ethyl(3-oxopropyl)amino]propanal (PubChem CID 88552208) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-[ethyl(3-oxopropyl)amino]propanal.

Molecular Properties

Compound Name3-[ethyl(3-oxopropyl)amino]propanal
PubChem CID88552208
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-[ethyl(3-oxopropyl)amino]propanal
SMILESCCN(CCC=O)CCC=O
InChIInChI=1S/C8H15NO2/c1-2-9(5-3-7-10)6-4-8-11/h7-8H,2-6H2,1H3
InChIKeyBCELTHHHCCGDQH-UHFFFAOYSA-N
XLogP0.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.49
H-Bond Donors ≤ 50
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 3-[ethyl(3-oxopropyl)amino]propanal?
The IUPAC name of 3-[ethyl(3-oxopropyl)amino]propanal (CID 88552208) is 3-[ethyl(3-oxopropyl)amino]propanal.
What is the SMILES notation for 3-[ethyl(3-oxopropyl)amino]propanal?
The canonical SMILES for 3-[ethyl(3-oxopropyl)amino]propanal is CCN(CCC=O)CCC=O.
What is the InChIKey of 3-[ethyl(3-oxopropyl)amino]propanal?
The InChIKey is BCELTHHHCCGDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-9(5-3-7-10)6-4-8-11/h7-8H,2-6H2,1H3.
What are the key properties of 3-[ethyl(3-oxopropyl)amino]propanal?
3-[ethyl(3-oxopropyl)amino]propanal has a molecular weight of 157.21 g/mol, XLogP of 0.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(3-oxopropyl)amino]propanal is sourced from PubChem (CID 88552208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).