3-(diethylamino)-3-hydroxypropanal

C7H15NO2 — CID 57028592

IUPAC3-(diethylamino)-3-hydroxypropanal
SMILESCCN(CC)C(O)CC=O
InChIInChI=1S/C7H15NO2/c1-3-8(4-2)7(10)5-6-9/h6-7,10H,3-5H2,1-2H3
InChIKeyVBILWZNZTNBKCJ-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.24
Rot. Bonds5

About 3-(diethylamino)-3-hydroxypropanal

3-(diethylamino)-3-hydroxypropanal (PubChem CID 57028592) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-(diethylamino)-3-hydroxypropanal.

Molecular Properties

Compound Name3-(diethylamino)-3-hydroxypropanal
PubChem CID57028592
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-(diethylamino)-3-hydroxypropanal
SMILESCCN(CC)C(O)CC=O
InChIInChI=1S/C7H15NO2/c1-3-8(4-2)7(10)5-6-9/h6-7,10H,3-5H2,1-2H3
InChIKeyVBILWZNZTNBKCJ-UHFFFAOYSA-N
XLogP0.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.24
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-[Hydroxymethyl(3-oxopropyl)amino]propanal
CID 58322009
3-[Ethyl(2-hydroxyethyl)amino]propanal
CID 63040729
3-[2-Hydroxyethyl(methyl)amino]propanal
CID 63040730
3-[Hexyl(methyl)amino]-3-hydroxypropanal
CID 88665429
N-(1-hydroxyethyl)-N-(3-oxopropyl)formamide
CID 139613282
3-(Dimethylamino)-3-hydroxypropanal
CID 154456727
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-[1-Hydroxypropan-2-yl(methyl)amino]propanal
CID 104552677
3-[Ethyl(3-hydroxypropyl)amino]propanal
CID 116056475

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3-hydroxypropanal?
The IUPAC name of 3-(diethylamino)-3-hydroxypropanal (CID 57028592) is 3-(diethylamino)-3-hydroxypropanal.
What is the SMILES notation for 3-(diethylamino)-3-hydroxypropanal?
The canonical SMILES for 3-(diethylamino)-3-hydroxypropanal is CCN(CC)C(O)CC=O.
What is the InChIKey of 3-(diethylamino)-3-hydroxypropanal?
The InChIKey is VBILWZNZTNBKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-8(4-2)7(10)5-6-9/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 3-(diethylamino)-3-hydroxypropanal?
3-(diethylamino)-3-hydroxypropanal has a molecular weight of 145.20 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-hydroxypropanal is sourced from PubChem (CID 57028592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).