5,5-dimethyl-1-pyridin-3-ylhexan-3-one

C13H19NO — CID 58286829

IUPAC5,5-dimethyl-1-pyridin-3-ylhexan-3-one
SMILESCC(C)(C)CC(=O)CCc1cccnc1
InChIInChI=1S/C13H19NO/c1-13(2,3)9-12(15)7-6-11-5-4-8-14-10-11/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyBAHSRWUBQCNOOZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.02
Rot. Bonds4

About 5,5-dimethyl-1-pyridin-3-ylhexan-3-one

5,5-dimethyl-1-pyridin-3-ylhexan-3-one (PubChem CID 58286829) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5,5-dimethyl-1-pyridin-3-ylhexan-3-one.

Molecular Properties

Compound Name5,5-dimethyl-1-pyridin-3-ylhexan-3-one
PubChem CID58286829
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5,5-dimethyl-1-pyridin-3-ylhexan-3-one
SMILESCC(C)(C)CC(=O)CCc1cccnc1
InChIInChI=1S/C13H19NO/c1-13(2,3)9-12(15)7-6-11-5-4-8-14-10-11/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyBAHSRWUBQCNOOZ-UHFFFAOYSA-N
XLogP3.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,5-dimethyl-1-pyridin-3-ylhexan-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

1-amino-4-pyridin-3-ylbutan-2-one
CID 82414894
6-methyl-1-pyridin-3-ylheptane-3,5-dione
CID 159181392
5-methyl-1-pyridin-3-ylheptan-3-one
CID 105091617
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
1-(3,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-one
CID 105081292
1-[4-[2-(4-tert-butylphenyl)acetyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 159913920
1,1,1-trifluoro-4-pyridin-3-ylbutan-2-one
CID 129453005
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
1-pyridin-3-ylhept-6-yn-3-one
CID 105100705
2-oxo-4-pyridin-3-ylbutanoic acid
CID 12014964
1-pyridin-3-yl-4-pyridin-4-ylbutan-2-one
CID 105127753
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-pyridin-3-ylhexan-3-one?
The IUPAC name of 5,5-dimethyl-1-pyridin-3-ylhexan-3-one (CID 58286829) is 5,5-dimethyl-1-pyridin-3-ylhexan-3-one.
What is the SMILES notation for 5,5-dimethyl-1-pyridin-3-ylhexan-3-one?
The canonical SMILES for 5,5-dimethyl-1-pyridin-3-ylhexan-3-one is CC(C)(C)CC(=O)CCc1cccnc1.
What is the InChIKey of 5,5-dimethyl-1-pyridin-3-ylhexan-3-one?
The InChIKey is BAHSRWUBQCNOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,3)9-12(15)7-6-11-5-4-8-14-10-11/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of 5,5-dimethyl-1-pyridin-3-ylhexan-3-one?
5,5-dimethyl-1-pyridin-3-ylhexan-3-one has a molecular weight of 205.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-pyridin-3-ylhexan-3-one is sourced from PubChem (CID 58286829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).