6-amino-1-hydroxy-5,5-dimethylhexan-3-one

C8H17NO2 — CID 157367139

IUPAC6-amino-1-hydroxy-5,5-dimethylhexan-3-one
SMILESCC(C)(CN)CC(=O)CCO
InChIInChI=1S/C8H17NO2/c1-8(2,6-9)5-7(11)3-4-10/h10H,3-6,9H2,1-2H3
InChIKeyJASSWCSCKSBIHY-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.31
Rot. Bonds5

About 6-amino-1-hydroxy-5,5-dimethylhexan-3-one

6-amino-1-hydroxy-5,5-dimethylhexan-3-one (PubChem CID 157367139) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 6-amino-1-hydroxy-5,5-dimethylhexan-3-one.

Molecular Properties

Compound Name6-amino-1-hydroxy-5,5-dimethylhexan-3-one
PubChem CID157367139
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name6-amino-1-hydroxy-5,5-dimethylhexan-3-one
SMILESCC(C)(CN)CC(=O)CCO
InChIInChI=1S/C8H17NO2/c1-8(2,6-9)5-7(11)3-4-10/h10H,3-6,9H2,1-2H3
InChIKeyJASSWCSCKSBIHY-UHFFFAOYSA-N
XLogP0.31
TPSA63.32 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 ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-amino-1-hydroxy-5,5-dimethylhexan-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

Related Compounds

5-amino-1-hydroxy-4,4-dimethylpentan-2-one
CID 157309225
1-amino-4-hydroxybutan-2-one
CID 13368156
4-amino-3,3-dimethylbutanoic acid
CID 910834
8-amino-3,3,5,5-tetramethyl-7-oxooctanamide
CID 91440643
4-amino-3,3-dimethylbutan-1-ol
CID 55290156
1-amino-4,4-dimethylpentan-2-one
CID 54132585
2,2-dimethylpropane-1,3-diamine
CID 162099967
6-(2-hydroxyethylsulfanyl)-2,2-dimethyl-4-oxohexane-1-sulfonic acid
CID 159952100
6-amino-5,5-dimethylhexanoic acid;hydrochloride
CID 175554592
4,4-dimethylundecane-2,6,10-trione
CID 101186067
4-amino-N,3,3-trimethyl-N-(2-methylpropyl)butanamide
CID 115157243
4-(3-amino-2,2-dimethylpropyl)sulfanyl-4-methylpentanoic acid
CID 155297539

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-hydroxy-5,5-dimethylhexan-3-one?
The IUPAC name of 6-amino-1-hydroxy-5,5-dimethylhexan-3-one (CID 157367139) is 6-amino-1-hydroxy-5,5-dimethylhexan-3-one.
What is the SMILES notation for 6-amino-1-hydroxy-5,5-dimethylhexan-3-one?
The canonical SMILES for 6-amino-1-hydroxy-5,5-dimethylhexan-3-one is CC(C)(CN)CC(=O)CCO.
What is the InChIKey of 6-amino-1-hydroxy-5,5-dimethylhexan-3-one?
The InChIKey is JASSWCSCKSBIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2,6-9)5-7(11)3-4-10/h10H,3-6,9H2,1-2H3.
What are the key properties of 6-amino-1-hydroxy-5,5-dimethylhexan-3-one?
6-amino-1-hydroxy-5,5-dimethylhexan-3-one has a molecular weight of 159.23 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-hydroxy-5,5-dimethylhexan-3-one is sourced from PubChem (CID 157367139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).