2-[2-hydroxypropyl(methyl)amino]pentan-3-one

C9H19NO2 — CID 64866283

IUPAC2-[2-hydroxypropyl(methyl)amino]pentan-3-one
SMILESCCC(=O)C(C)N(C)CC(C)O
InChIInChI=1S/C9H19NO2/c1-5-9(12)8(3)10(4)6-7(2)11/h7-8,11H,5-6H2,1-4H3
InChIKeyYRVPNOYNYHRLPR-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.67
Rot. Bonds5

About 2-[2-hydroxypropyl(methyl)amino]pentan-3-one

2-[2-hydroxypropyl(methyl)amino]pentan-3-one (PubChem CID 64866283) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[2-hydroxypropyl(methyl)amino]pentan-3-one.

Molecular Properties

Compound Name2-[2-hydroxypropyl(methyl)amino]pentan-3-one
PubChem CID64866283
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-[2-hydroxypropyl(methyl)amino]pentan-3-one
SMILESCCC(=O)C(C)N(C)CC(C)O
InChIInChI=1S/C9H19NO2/c1-5-9(12)8(3)10(4)6-7(2)11/h7-8,11H,5-6H2,1-4H3
InChIKeyYRVPNOYNYHRLPR-UHFFFAOYSA-N
XLogP0.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 2-[2-hydroxypropyl(methyl)amino]pentan-3-one?
The IUPAC name of 2-[2-hydroxypropyl(methyl)amino]pentan-3-one (CID 64866283) is 2-[2-hydroxypropyl(methyl)amino]pentan-3-one.
What is the SMILES notation for 2-[2-hydroxypropyl(methyl)amino]pentan-3-one?
The canonical SMILES for 2-[2-hydroxypropyl(methyl)amino]pentan-3-one is CCC(=O)C(C)N(C)CC(C)O.
What is the InChIKey of 2-[2-hydroxypropyl(methyl)amino]pentan-3-one?
The InChIKey is YRVPNOYNYHRLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-9(12)8(3)10(4)6-7(2)11/h7-8,11H,5-6H2,1-4H3.
What are the key properties of 2-[2-hydroxypropyl(methyl)amino]pentan-3-one?
2-[2-hydroxypropyl(methyl)amino]pentan-3-one has a molecular weight of 173.26 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxypropyl(methyl)amino]pentan-3-one is sourced from PubChem (CID 64866283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).