5-[ethyl(2-hydroxyethyl)amino]pentan-2-one

C9H19NO2 — CID 3018517

IUPAC5-[ethyl(2-hydroxyethyl)amino]pentan-2-one
SMILESCCN(CCO)CCCC(C)=O
InChIInChI=1S/C9H19NO2/c1-3-10(7-8-11)6-4-5-9(2)12/h11H,3-8H2,1-2H3
InChIKeyQZNLTZOIQGUVGO-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.67
Rot. Bonds7

About 5-[ethyl(2-hydroxyethyl)amino]pentan-2-one

5-[ethyl(2-hydroxyethyl)amino]pentan-2-one (PubChem CID 3018517) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 5-[ethyl(2-hydroxyethyl)amino]pentan-2-one.

Molecular Properties

Compound Name5-[ethyl(2-hydroxyethyl)amino]pentan-2-one
PubChem CID3018517
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name5-[ethyl(2-hydroxyethyl)amino]pentan-2-one
SMILESCCN(CCO)CCCC(C)=O
InChIInChI=1S/C9H19NO2/c1-3-10(7-8-11)6-4-5-9(2)12/h11H,3-8H2,1-2H3
InChIKeyQZNLTZOIQGUVGO-UHFFFAOYSA-N
XLogP0.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2-hydroxyethyl)amino]pentan-2-one?
The IUPAC name of 5-[ethyl(2-hydroxyethyl)amino]pentan-2-one (CID 3018517) is 5-[ethyl(2-hydroxyethyl)amino]pentan-2-one.
What is the SMILES notation for 5-[ethyl(2-hydroxyethyl)amino]pentan-2-one?
The canonical SMILES for 5-[ethyl(2-hydroxyethyl)amino]pentan-2-one is CCN(CCO)CCCC(C)=O.
What is the InChIKey of 5-[ethyl(2-hydroxyethyl)amino]pentan-2-one?
The InChIKey is QZNLTZOIQGUVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-10(7-8-11)6-4-5-9(2)12/h11H,3-8H2,1-2H3.
What are the key properties of 5-[ethyl(2-hydroxyethyl)amino]pentan-2-one?
5-[ethyl(2-hydroxyethyl)amino]pentan-2-one has a molecular weight of 173.26 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2-hydroxyethyl)amino]pentan-2-one is sourced from PubChem (CID 3018517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).