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

C7H15NO3 — CID 63040917

IUPAC3-[bis(2-hydroxyethyl)amino]propanal
SMILESO=CCCN(CCO)CCO
InChIInChI=1S/C7H15NO3/c9-5-1-2-8(3-6-10)4-7-11/h5,10-11H,1-4,6-7H2
InChIKeyYTVFRRNKDIFYCM-UHFFFAOYSA-N
MW161.20 g/mol
LogP-1.14
Rot. Bonds7

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

3-[bis(2-hydroxyethyl)amino]propanal (PubChem CID 63040917) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]propanal.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]propanal
PubChem CID63040917
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name3-[bis(2-hydroxyethyl)amino]propanal
SMILESO=CCCN(CCO)CCO
InChIInChI=1S/C7H15NO3/c9-5-1-2-8(3-6-10)4-7-11/h5,10-11H,1-4,6-7H2
InChIKeyYTVFRRNKDIFYCM-UHFFFAOYSA-N
XLogP-1.14
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Hydroxyethyloxopropylamine
CID 22439460
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
CID 408641
3-(Dimethylamino)-2-hydroxypropanal
CID 408947
(2-Hydroxy-3-oxopropyl)-trimethylazanium
CID 19089542
3-[Bis(2-hydroxyethyl)amino]-2,2-dimethylpropanal
CID 44541421
3-[Hydroxymethyl(3-oxopropyl)amino]propanal
CID 58322009
2-[2-Hydroxyethyl(propyl)amino]acetaldehyde
CID 62051333
3-[Ethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanal
CID 62276024
3-[2-Hydroxyethyl(methyl)amino]-2,2-dimethylpropanal
CID 62276213
3-[Butyl(2-hydroxyethyl)amino]propanal
CID 63039413

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]propanal?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]propanal (CID 63040917) is 3-[bis(2-hydroxyethyl)amino]propanal.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]propanal?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]propanal is O=CCCN(CCO)CCO.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]propanal?
The InChIKey is YTVFRRNKDIFYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c9-5-1-2-8(3-6-10)4-7-11/h5,10-11H,1-4,6-7H2.
What are the key properties of 3-[bis(2-hydroxyethyl)amino]propanal?
3-[bis(2-hydroxyethyl)amino]propanal has a molecular weight of 161.20 g/mol, XLogP of -1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]propanal is sourced from PubChem (CID 63040917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).