4-hydroxy-2-methyl-6-(methylamino)hexan-3-one

C8H17NO2 — CID 88928528

IUPAC4-hydroxy-2-methyl-6-(methylamino)hexan-3-one
SMILESCNCCC(O)C(=O)C(C)C
InChIInChI=1S/C8H17NO2/c1-6(2)8(11)7(10)4-5-9-3/h6-7,9-10H,4-5H2,1-3H3
InChIKeyNTDBVCDUTJZONI-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.18
Rot. Bonds5

About 4-hydroxy-2-methyl-6-(methylamino)hexan-3-one

4-hydroxy-2-methyl-6-(methylamino)hexan-3-one (PubChem CID 88928528) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-6-(methylamino)hexan-3-one.

Molecular Properties

Compound Name4-hydroxy-2-methyl-6-(methylamino)hexan-3-one
PubChem CID88928528
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-hydroxy-2-methyl-6-(methylamino)hexan-3-one
SMILESCNCCC(O)C(=O)C(C)C
InChIInChI=1S/C8H17NO2/c1-6(2)8(11)7(10)4-5-9-3/h6-7,9-10H,4-5H2,1-3H3
InChIKeyNTDBVCDUTJZONI-UHFFFAOYSA-N
XLogP0.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-2-methyl-6-(methylamino)hexan-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-6-(methylamino)hexan-3-one?
The IUPAC name of 4-hydroxy-2-methyl-6-(methylamino)hexan-3-one (CID 88928528) is 4-hydroxy-2-methyl-6-(methylamino)hexan-3-one.
What is the SMILES notation for 4-hydroxy-2-methyl-6-(methylamino)hexan-3-one?
The canonical SMILES for 4-hydroxy-2-methyl-6-(methylamino)hexan-3-one is CNCCC(O)C(=O)C(C)C.
What is the InChIKey of 4-hydroxy-2-methyl-6-(methylamino)hexan-3-one?
The InChIKey is NTDBVCDUTJZONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(2)8(11)7(10)4-5-9-3/h6-7,9-10H,4-5H2,1-3H3.
What are the key properties of 4-hydroxy-2-methyl-6-(methylamino)hexan-3-one?
4-hydroxy-2-methyl-6-(methylamino)hexan-3-one has a molecular weight of 159.23 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-6-(methylamino)hexan-3-one is sourced from PubChem (CID 88928528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).