5-hydroxy-3-methyl-6-(methylamino)heptan-2-one

C9H19NO2 — CID 20601498

IUPAC5-hydroxy-3-methyl-6-(methylamino)heptan-2-one
SMILESCNC(C)C(O)CC(C)C(C)=O
InChIInChI=1S/C9H19NO2/c1-6(8(3)11)5-9(12)7(2)10-4/h6-7,9-10,12H,5H2,1-4H3
InChIKeyGKVBJRXMGYMGIC-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.57
Rot. Bonds5

About 5-hydroxy-3-methyl-6-(methylamino)heptan-2-one

5-hydroxy-3-methyl-6-(methylamino)heptan-2-one (PubChem CID 20601498) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 5-hydroxy-3-methyl-6-(methylamino)heptan-2-one.

Molecular Properties

Compound Name5-hydroxy-3-methyl-6-(methylamino)heptan-2-one
PubChem CID20601498
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name5-hydroxy-3-methyl-6-(methylamino)heptan-2-one
SMILESCNC(C)C(O)CC(C)C(C)=O
InChIInChI=1S/C9H19NO2/c1-6(8(3)11)5-9(12)7(2)10-4/h6-7,9-10,12H,5H2,1-4H3
InChIKeyGKVBJRXMGYMGIC-UHFFFAOYSA-N
XLogP0.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-hydroxy-3-methyl-6-(methylamino)heptan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetyl fluoride;1-fluoro-3-(methylamino)butan-2-ol
CID 54155867
3,5-dimethyl-6-(methylamino)hexan-2-one
CID 169146775
3,5,7,9-tetramethylundecane-2,6,10-trione
CID 150395094
5,5-dihydroxy-3-(methylamino)pentan-2-one;ethene
CID 161480959
[2-(methylamino)-3-oxobutyl]azanide
CID 54347753
3-methyl-4-[(2-methyl-3-oxobutoxy)methoxy]butan-2-one
CID 23594106
hexakis(butan-2-one);6-hydroxy-3,5-dimethyloctan-2-one;methane
CID 160996224
(3S,5R)-3,5-dimethylhept-6-en-2-one
CID 131859012
(3S)-5-hydroxy-3-(methylamino)pentan-2-one
CID 59960243
7-hydroxy-3-methyldodecan-2-one
CID 91423870
4-hydroxy-3-(methylamino)pentan-2-one
CID 22981507
3-(methylamino)heptane-2,5-dione
CID 121263911

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methyl-6-(methylamino)heptan-2-one?
The IUPAC name of 5-hydroxy-3-methyl-6-(methylamino)heptan-2-one (CID 20601498) is 5-hydroxy-3-methyl-6-(methylamino)heptan-2-one.
What is the SMILES notation for 5-hydroxy-3-methyl-6-(methylamino)heptan-2-one?
The canonical SMILES for 5-hydroxy-3-methyl-6-(methylamino)heptan-2-one is CNC(C)C(O)CC(C)C(C)=O.
What is the InChIKey of 5-hydroxy-3-methyl-6-(methylamino)heptan-2-one?
The InChIKey is GKVBJRXMGYMGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6(8(3)11)5-9(12)7(2)10-4/h6-7,9-10,12H,5H2,1-4H3.
What are the key properties of 5-hydroxy-3-methyl-6-(methylamino)heptan-2-one?
5-hydroxy-3-methyl-6-(methylamino)heptan-2-one has a molecular weight of 173.26 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methyl-6-(methylamino)heptan-2-one is sourced from PubChem (CID 20601498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).