3-[ethyl(2-hydroxyethyl)amino]propanal

C7H15NO2 — CID 63040729

IUPAC3-[ethyl(2-hydroxyethyl)amino]propanal
SMILESCCN(CCO)CCC=O
InChIInChI=1S/C7H15NO2/c1-2-8(5-7-10)4-3-6-9/h6,10H,2-5,7H2,1H3
InChIKeyFPCPEJRBSVBTAB-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.11
Rot. Bonds6

About 3-[ethyl(2-hydroxyethyl)amino]propanal

3-[ethyl(2-hydroxyethyl)amino]propanal (PubChem CID 63040729) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-[ethyl(2-hydroxyethyl)amino]propanal.

Molecular Properties

Compound Name3-[ethyl(2-hydroxyethyl)amino]propanal
PubChem CID63040729
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-[ethyl(2-hydroxyethyl)amino]propanal
SMILESCCN(CCO)CCC=O
InChIInChI=1S/C7H15NO2/c1-2-8(5-7-10)4-3-6-9/h6,10H,2-5,7H2,1H3
InChIKeyFPCPEJRBSVBTAB-UHFFFAOYSA-N
XLogP-0.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.11
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

3-[Bis(2-hydroxypropyl)amino]-2,2-dimethylpropanal
CID 87356990
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]propanal
CID 107481167
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]propanal
CID 107481282
3-(Diethylamino)-2-hydroxypropanal;hydrochloride
CID 24182242
3-(Diethylamino)-2-hydroxypropanal
CID 408641
3-(Dimethylamino)-2-hydroxypropanal
CID 408947
3-((2-Hydroxyethyl)dimethylammonio)propanoate
CID 12851419
(2-Hydroxy-3-oxopropyl)-trimethylazanium
CID 19089542
3-[Bis(2-hydroxyethyl)amino]-2,2-dimethylpropanal
CID 44541421
3-(Diethylamino)-3-hydroxypropanal
CID 57028592
3-[Hydroxymethyl(3-oxopropyl)amino]propanal
CID 58322009
4-[2-Hydroxyethyl(methyl)amino]butan-2-one
CID 60649508

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]propanal?
The IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]propanal (CID 63040729) is 3-[ethyl(2-hydroxyethyl)amino]propanal.
What is the SMILES notation for 3-[ethyl(2-hydroxyethyl)amino]propanal?
The canonical SMILES for 3-[ethyl(2-hydroxyethyl)amino]propanal is CCN(CCO)CCC=O.
What is the InChIKey of 3-[ethyl(2-hydroxyethyl)amino]propanal?
The InChIKey is FPCPEJRBSVBTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-8(5-7-10)4-3-6-9/h6,10H,2-5,7H2,1H3.
What are the key properties of 3-[ethyl(2-hydroxyethyl)amino]propanal?
3-[ethyl(2-hydroxyethyl)amino]propanal has a molecular weight of 145.20 g/mol, XLogP of -0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-hydroxyethyl)amino]propanal is sourced from PubChem (CID 63040729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).