4-[2-hydroxyethyl(propyl)amino]butan-2-one

C9H19NO2 — CID 60647966

IUPAC4-[2-hydroxyethyl(propyl)amino]butan-2-one
SMILESCCCN(CCO)CCC(C)=O
InChIInChI=1S/C9H19NO2/c1-3-5-10(7-8-11)6-4-9(2)12/h11H,3-8H2,1-2H3
InChIKeyZJSSRKRKRPGKKU-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.67
Rot. Bonds7

About 4-[2-hydroxyethyl(propyl)amino]butan-2-one

4-[2-hydroxyethyl(propyl)amino]butan-2-one (PubChem CID 60647966) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(propyl)amino]butan-2-one.

Molecular Properties

Compound Name4-[2-hydroxyethyl(propyl)amino]butan-2-one
PubChem CID60647966
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-[2-hydroxyethyl(propyl)amino]butan-2-one
SMILESCCCN(CCO)CCC(C)=O
InChIInChI=1S/C9H19NO2/c1-3-5-10(7-8-11)6-4-9(2)12/h11H,3-8H2,1-2H3
InChIKeyZJSSRKRKRPGKKU-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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Related Compounds

1-[Butyl(2-hydroxypropyl)amino]propan-2-ol
CID 588959
5-(Ethyl(2-hydroxyethyl)amino)pentan-2-one
CID 3018517
5-[Bis(2-hydroxyethyl)amino]pentan-2-one
CID 285259
4-[2,2-Difluoroethyl(2-hydroxyethyl)amino]butan-2-one
CID 107481156
4-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]butan-2-one
CID 107481269
3-[Dibutyl(2-hydroxypropyl)azaniumyl]propanoate
CID 9943119
3-[Dibutyl(2-hydroxyethyl)azaniumyl]propanoate
CID 12084160
4-[2-Methoxyethyl(methyl)amino]butan-2-one
CID 15844026
1-[Butyl(2-hydroxyethyl)amino]propan-2-ol
CID 17796804
(2-Hydroxy-3-oxobutyl)-trimethylazanium
CID 19754802
4-[Bis(2-hydroxyethyl)amino]-2-butanone
CID 19912253
4-[Bis(1-hydroxyethyl)amino]butan-2-one;hydrochloride
CID 19912254

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(propyl)amino]butan-2-one?
The IUPAC name of 4-[2-hydroxyethyl(propyl)amino]butan-2-one (CID 60647966) is 4-[2-hydroxyethyl(propyl)amino]butan-2-one.
What is the SMILES notation for 4-[2-hydroxyethyl(propyl)amino]butan-2-one?
The canonical SMILES for 4-[2-hydroxyethyl(propyl)amino]butan-2-one is CCCN(CCO)CCC(C)=O.
What is the InChIKey of 4-[2-hydroxyethyl(propyl)amino]butan-2-one?
The InChIKey is ZJSSRKRKRPGKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-5-10(7-8-11)6-4-9(2)12/h11H,3-8H2,1-2H3.
What are the key properties of 4-[2-hydroxyethyl(propyl)amino]butan-2-one?
4-[2-hydroxyethyl(propyl)amino]butan-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 4-[2-hydroxyethyl(propyl)amino]butan-2-one is sourced from PubChem (CID 60647966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).