5-[3-hydroxypropyl(propan-2-yl)amino]pentan-2-one

C11H23NO2 — CID 62031305

IUPAC5-[3-hydroxypropyl(propan-2-yl)amino]pentan-2-one
SMILESCC(=O)CCCN(CCCO)C(C)C
InChIInChI=1S/C11H23NO2/c1-10(2)12(8-5-9-13)7-4-6-11(3)14/h10,13H,4-9H2,1-3H3
InChIKeyPRNFFGYQFXAGRM-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.45
Rot. Bonds8

About 5-[3-hydroxypropyl(propan-2-yl)amino]pentan-2-one

5-[3-hydroxypropyl(propan-2-yl)amino]pentan-2-one (PubChem CID 62031305) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 5-[3-hydroxypropyl(propan-2-yl)amino]pentan-2-one.

Molecular Properties

Compound Name5-[3-hydroxypropyl(propan-2-yl)amino]pentan-2-one
PubChem CID62031305
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name5-[3-hydroxypropyl(propan-2-yl)amino]pentan-2-one
SMILESCC(=O)CCCN(CCCO)C(C)C
InChIInChI=1S/C11H23NO2/c1-10(2)12(8-5-9-13)7-4-6-11(3)14/h10,13H,4-9H2,1-3H3
InChIKeyPRNFFGYQFXAGRM-UHFFFAOYSA-N
XLogP1.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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 5-[3-hydroxypropyl(propan-2-yl)amino]pentan-2-one?
The IUPAC name of 5-[3-hydroxypropyl(propan-2-yl)amino]pentan-2-one (CID 62031305) is 5-[3-hydroxypropyl(propan-2-yl)amino]pentan-2-one.
What is the SMILES notation for 5-[3-hydroxypropyl(propan-2-yl)amino]pentan-2-one?
The canonical SMILES for 5-[3-hydroxypropyl(propan-2-yl)amino]pentan-2-one is CC(=O)CCCN(CCCO)C(C)C.
What is the InChIKey of 5-[3-hydroxypropyl(propan-2-yl)amino]pentan-2-one?
The InChIKey is PRNFFGYQFXAGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(2)12(8-5-9-13)7-4-6-11(3)14/h10,13H,4-9H2,1-3H3.
What are the key properties of 5-[3-hydroxypropyl(propan-2-yl)amino]pentan-2-one?
5-[3-hydroxypropyl(propan-2-yl)amino]pentan-2-one has a molecular weight of 201.31 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-hydroxypropyl(propan-2-yl)amino]pentan-2-one is sourced from PubChem (CID 62031305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).