3-[2-hydroxyethyl(pentan-3-yl)amino]propanal

C10H21NO2 — CID 63039045

IUPAC3-[2-hydroxyethyl(pentan-3-yl)amino]propanal
SMILESCCC(CC)N(CCO)CCC=O
InChIInChI=1S/C10H21NO2/c1-3-10(4-2)11(7-9-13)6-5-8-12/h8,10,13H,3-7,9H2,1-2H3
InChIKeyLWBZJRIIJKKECR-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.06
Rot. Bonds8

About 3-[2-hydroxyethyl(pentan-3-yl)amino]propanal

3-[2-hydroxyethyl(pentan-3-yl)amino]propanal (PubChem CID 63039045) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(pentan-3-yl)amino]propanal.

Molecular Properties

Compound Name3-[2-hydroxyethyl(pentan-3-yl)amino]propanal
PubChem CID63039045
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-[2-hydroxyethyl(pentan-3-yl)amino]propanal
SMILESCCC(CC)N(CCO)CCC=O
InChIInChI=1S/C10H21NO2/c1-3-10(4-2)11(7-9-13)6-5-8-12/h8,10,13H,3-7,9H2,1-2H3
InChIKeyLWBZJRIIJKKECR-UHFFFAOYSA-N
XLogP1.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(pentan-3-yl)amino]propanal?
The IUPAC name of 3-[2-hydroxyethyl(pentan-3-yl)amino]propanal (CID 63039045) is 3-[2-hydroxyethyl(pentan-3-yl)amino]propanal.
What is the SMILES notation for 3-[2-hydroxyethyl(pentan-3-yl)amino]propanal?
The canonical SMILES for 3-[2-hydroxyethyl(pentan-3-yl)amino]propanal is CCC(CC)N(CCO)CCC=O.
What is the InChIKey of 3-[2-hydroxyethyl(pentan-3-yl)amino]propanal?
The InChIKey is LWBZJRIIJKKECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-10(4-2)11(7-9-13)6-5-8-12/h8,10,13H,3-7,9H2,1-2H3.
What are the key properties of 3-[2-hydroxyethyl(pentan-3-yl)amino]propanal?
3-[2-hydroxyethyl(pentan-3-yl)amino]propanal has a molecular weight of 187.28 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(pentan-3-yl)amino]propanal is sourced from PubChem (CID 63039045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).