3-(ethylamino)propanal

C5H11NO — CID 21400086

IUPAC3-(ethylamino)propanal
SMILESCCNCCC=O
InChIInChI=1S/C5H11NO/c1-2-6-4-3-5-7/h5-6H,2-4H2,1H3
InChIKeyWMIBZKNFYVSASG-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.18
Rot. Bonds4

About 3-(ethylamino)propanal

3-(ethylamino)propanal (PubChem CID 21400086) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 3-(ethylamino)propanal.

Molecular Properties

Compound Name3-(ethylamino)propanal
PubChem CID21400086
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name3-(ethylamino)propanal
SMILESCCNCCC=O
InChIInChI=1S/C5H11NO/c1-2-6-4-3-5-7/h5-6H,2-4H2,1H3
InChIKeyWMIBZKNFYVSASG-UHFFFAOYSA-N
XLogP0.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.18
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)propanal?
The IUPAC name of 3-(ethylamino)propanal (CID 21400086) is 3-(ethylamino)propanal.
What is the SMILES notation for 3-(ethylamino)propanal?
The canonical SMILES for 3-(ethylamino)propanal is CCNCCC=O.
What is the InChIKey of 3-(ethylamino)propanal?
The InChIKey is WMIBZKNFYVSASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-2-6-4-3-5-7/h5-6H,2-4H2,1H3.
What are the key properties of 3-(ethylamino)propanal?
3-(ethylamino)propanal has a molecular weight of 101.15 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)propanal is sourced from PubChem (CID 21400086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).