3-[2-hydroxyethyl(pentan-3-yl)amino]butan-2-one

C11H23NO2 — CID 62035780

IUPAC3-[2-hydroxyethyl(pentan-3-yl)amino]butan-2-one
SMILESCCC(CC)N(CCO)C(C)C(C)=O
InChIInChI=1S/C11H23NO2/c1-5-11(6-2)12(7-8-13)9(3)10(4)14/h9,11,13H,5-8H2,1-4H3
InChIKeyTXCLLUFCFRFINU-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.45
Rot. Bonds7

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

3-[2-hydroxyethyl(pentan-3-yl)amino]butan-2-one (PubChem CID 62035780) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(pentan-3-yl)amino]butan-2-one.

Molecular Properties

Compound Name3-[2-hydroxyethyl(pentan-3-yl)amino]butan-2-one
PubChem CID62035780
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-[2-hydroxyethyl(pentan-3-yl)amino]butan-2-one
SMILESCCC(CC)N(CCO)C(C)C(C)=O
InChIInChI=1S/C11H23NO2/c1-5-11(6-2)12(7-8-13)9(3)10(4)14/h9,11,13H,5-8H2,1-4H3
InChIKeyTXCLLUFCFRFINU-UHFFFAOYSA-N
XLogP1.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(pentan-3-yl)amino]butan-2-one?
The IUPAC name of 3-[2-hydroxyethyl(pentan-3-yl)amino]butan-2-one (CID 62035780) is 3-[2-hydroxyethyl(pentan-3-yl)amino]butan-2-one.
What is the SMILES notation for 3-[2-hydroxyethyl(pentan-3-yl)amino]butan-2-one?
The canonical SMILES for 3-[2-hydroxyethyl(pentan-3-yl)amino]butan-2-one is CCC(CC)N(CCO)C(C)C(C)=O.
What is the InChIKey of 3-[2-hydroxyethyl(pentan-3-yl)amino]butan-2-one?
The InChIKey is TXCLLUFCFRFINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-11(6-2)12(7-8-13)9(3)10(4)14/h9,11,13H,5-8H2,1-4H3.
What are the key properties of 3-[2-hydroxyethyl(pentan-3-yl)amino]butan-2-one?
3-[2-hydroxyethyl(pentan-3-yl)amino]butan-2-one has a molecular weight of 201.31 g/mol, XLogP of 1.45, 7 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]butan-2-one is sourced from PubChem (CID 62035780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).