3-ethoxy-2-(methylamino)propanal

C6H13NO2 — CID 162184376

IUPAC3-ethoxy-2-(methylamino)propanal
SMILESCCOCC(C=O)NC
InChIInChI=1S/C6H13NO2/c1-3-9-5-6(4-8)7-2/h4,6-7H,3,5H2,1-2H3
InChIKeyZPLSOUQVVDSYEK-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.19
Rot. Bonds5

About 3-ethoxy-2-(methylamino)propanal

3-ethoxy-2-(methylamino)propanal (PubChem CID 162184376) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-ethoxy-2-(methylamino)propanal.

Molecular Properties

Compound Name3-ethoxy-2-(methylamino)propanal
PubChem CID162184376
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name3-ethoxy-2-(methylamino)propanal
SMILESCCOCC(C=O)NC
InChIInChI=1S/C6H13NO2/c1-3-9-5-6(4-8)7-2/h4,6-7H,3,5H2,1-2H3
InChIKeyZPLSOUQVVDSYEK-UHFFFAOYSA-N
XLogP-0.19
TPSA38.33 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 ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-methoxy-2-(methylamino)butanal
CID 145050464
1-ethoxy-N,5-dimethylhex-4-en-3-amine
CID 105163329
2-(2-ethoxyethoxy)-N-methylethanamine;2-methylpropanal
CID 177338044
N,N-dimethyl-3-(methylamino)-4-oxobutanamide
CID 155015110
(2S)-2-(methylamino)-4-sulfanylbutanal
CID 54280108
(2S)-2-(methylamino)-4-oxopentanal
CID 59947269
3-[(3-ethoxy-2-hydroxypropyl)amino]-2-methylpropanal
CID 126611622
(1-ethoxy-4-methylpent-3-en-2-yl)hydrazine
CID 105235434
1-ethoxy-N-methyl-3-propoxypropan-2-amine
CID 79574489
2-bromo-4-ethoxybutanal
CID 91608133
1,1,3-triethoxy-N-methylpropan-2-amine
CID 79570224
1-ethoxypropan-2-ol;N-methylmethanamine
CID 88607316

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-(methylamino)propanal?
The IUPAC name of 3-ethoxy-2-(methylamino)propanal (CID 162184376) is 3-ethoxy-2-(methylamino)propanal.
What is the SMILES notation for 3-ethoxy-2-(methylamino)propanal?
The canonical SMILES for 3-ethoxy-2-(methylamino)propanal is CCOCC(C=O)NC.
What is the InChIKey of 3-ethoxy-2-(methylamino)propanal?
The InChIKey is ZPLSOUQVVDSYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-9-5-6(4-8)7-2/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 3-ethoxy-2-(methylamino)propanal?
3-ethoxy-2-(methylamino)propanal has a molecular weight of 131.18 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-(methylamino)propanal is sourced from PubChem (CID 162184376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).