3-(dimethylamino)-3-hydroxypropanal

C5H11NO2 — CID 154456727

IUPAC3-(dimethylamino)-3-hydroxypropanal
SMILESCN(C)C(O)CC=O
InChIInChI=1S/C5H11NO2/c1-6(2)5(8)3-4-7/h4-5,8H,3H2,1-2H3
InChIKeyGOXKADMCYGGOFE-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.54
Rot. Bonds3

About 3-(dimethylamino)-3-hydroxypropanal

3-(dimethylamino)-3-hydroxypropanal (PubChem CID 154456727) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 3-(dimethylamino)-3-hydroxypropanal.

Molecular Properties

Compound Name3-(dimethylamino)-3-hydroxypropanal
PubChem CID154456727
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name3-(dimethylamino)-3-hydroxypropanal
SMILESCN(C)C(O)CC=O
InChIInChI=1S/C5H11NO2/c1-6(2)5(8)3-4-7/h4-5,8H,3H2,1-2H3
InChIKeyGOXKADMCYGGOFE-UHFFFAOYSA-N
XLogP-0.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(Diethylamino)-3-hydroxypropanal
CID 57028592
3-[Hydroxymethyl(3-oxopropyl)amino]propanal
CID 58322009
3-(Dimethylamino)propanal;methanol
CID 170975968
3-(Diethylamino)-3-hydroxypropanal;lambda2-plumbane
CID 173370689
3-[Bis(1-hydroxyethyl)amino]propanal
CID 173407632
3-Hydroxy-3-pyrrolidin-1-ylpropanal
CID 173807165
3-[Ethyl(3-hydroxypropyl)amino]propanal
CID 116056475
3-[3-Hydroxypropyl(methyl)amino]propanal
CID 130489490

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-hydroxypropanal?
The IUPAC name of 3-(dimethylamino)-3-hydroxypropanal (CID 154456727) is 3-(dimethylamino)-3-hydroxypropanal.
What is the SMILES notation for 3-(dimethylamino)-3-hydroxypropanal?
The canonical SMILES for 3-(dimethylamino)-3-hydroxypropanal is CN(C)C(O)CC=O.
What is the InChIKey of 3-(dimethylamino)-3-hydroxypropanal?
The InChIKey is GOXKADMCYGGOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-6(2)5(8)3-4-7/h4-5,8H,3H2,1-2H3.
What are the key properties of 3-(dimethylamino)-3-hydroxypropanal?
3-(dimethylamino)-3-hydroxypropanal has a molecular weight of 117.15 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-hydroxypropanal is sourced from PubChem (CID 154456727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).