3-[ethyl(methyl)amino]propanal

C6H13NO — CID 54200852

IUPAC3-[ethyl(methyl)amino]propanal
SMILESCCN(C)CCC=O
InChIInChI=1S/C6H13NO/c1-3-7(2)5-4-6-8/h6H,3-5H2,1-2H3
InChIKeyAIRUKGRNWQLYAY-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.53
Rot. Bonds4

About 3-[ethyl(methyl)amino]propanal

3-[ethyl(methyl)amino]propanal (PubChem CID 54200852) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-[ethyl(methyl)amino]propanal.

Molecular Properties

Compound Name3-[ethyl(methyl)amino]propanal
PubChem CID54200852
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-[ethyl(methyl)amino]propanal
SMILESCCN(C)CCC=O
InChIInChI=1S/C6H13NO/c1-3-7(2)5-4-6-8/h6H,3-5H2,1-2H3
InChIKeyAIRUKGRNWQLYAY-UHFFFAOYSA-N
XLogP0.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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(methyl)amino]propanal?
The IUPAC name of 3-[ethyl(methyl)amino]propanal (CID 54200852) is 3-[ethyl(methyl)amino]propanal.
What is the SMILES notation for 3-[ethyl(methyl)amino]propanal?
The canonical SMILES for 3-[ethyl(methyl)amino]propanal is CCN(C)CCC=O.
What is the InChIKey of 3-[ethyl(methyl)amino]propanal?
The InChIKey is AIRUKGRNWQLYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-7(2)5-4-6-8/h6H,3-5H2,1-2H3.
What are the key properties of 3-[ethyl(methyl)amino]propanal?
3-[ethyl(methyl)amino]propanal has a molecular weight of 115.18 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methyl)amino]propanal is sourced from PubChem (CID 54200852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).