4,6,6-trimethyl-1-pyridin-2-ylheptan-2-ol

C15H25NO — CID 115810990

IUPAC4,6,6-trimethyl-1-pyridin-2-ylheptan-2-ol
SMILESCC(CC(O)Cc1ccccn1)CC(C)(C)C
InChIInChI=1S/C15H25NO/c1-12(11-15(2,3)4)9-14(17)10-13-7-5-6-8-16-13/h5-8,12,14,17H,9-11H2,1-4H3
InChIKeyCEWGZEQKTORWFG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.45
Rot. Bonds5

About 4,6,6-trimethyl-1-pyridin-2-ylheptan-2-ol

4,6,6-trimethyl-1-pyridin-2-ylheptan-2-ol (PubChem CID 115810990) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4,6,6-trimethyl-1-pyridin-2-ylheptan-2-ol.

Molecular Properties

Compound Name4,6,6-trimethyl-1-pyridin-2-ylheptan-2-ol
PubChem CID115810990
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4,6,6-trimethyl-1-pyridin-2-ylheptan-2-ol
SMILESCC(CC(O)Cc1ccccn1)CC(C)(C)C
InChIInChI=1S/C15H25NO/c1-12(11-15(2,3)4)9-14(17)10-13-7-5-6-8-16-13/h5-8,12,14,17H,9-11H2,1-4H3
InChIKeyCEWGZEQKTORWFG-UHFFFAOYSA-N
XLogP3.45
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-pyridin-2-ylbutan-2-ol
CID 62393585
4-methyl-1-pyridin-2-ylpentane-2,3-diol
CID 103456469
(R)-N-[(2R,4S)-4-hydroxy-1-pyridin-2-ylpentan-2-yl]-2-methylpropane-2-sulfinamide
CID 140879318
(2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one
CID 58458155
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
2-(2-chloro-3,3-dimethylbutyl)pyridine
CID 63203181
(3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol
CID 135132625
2-(2-cyclopropyl-3-methylbutyl)pyridine
CID 54206046
4,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-ol
CID 115791046
3,5,5-trimethyl-1-pyridin-2-ylhexan-1-one
CID 24723559
4-methyl-1-pyridin-2-ylpentan-2-amine
CID 43118867
1-(3,4-difluorophenyl)-4,6,6-trimethylheptan-2-ol
CID 115829363

Frequently Asked Questions

What is the IUPAC name of 4,6,6-trimethyl-1-pyridin-2-ylheptan-2-ol?
The IUPAC name of 4,6,6-trimethyl-1-pyridin-2-ylheptan-2-ol (CID 115810990) is 4,6,6-trimethyl-1-pyridin-2-ylheptan-2-ol.
What is the SMILES notation for 4,6,6-trimethyl-1-pyridin-2-ylheptan-2-ol?
The canonical SMILES for 4,6,6-trimethyl-1-pyridin-2-ylheptan-2-ol is CC(CC(O)Cc1ccccn1)CC(C)(C)C.
What is the InChIKey of 4,6,6-trimethyl-1-pyridin-2-ylheptan-2-ol?
The InChIKey is CEWGZEQKTORWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(11-15(2,3)4)9-14(17)10-13-7-5-6-8-16-13/h5-8,12,14,17H,9-11H2,1-4H3.
What are the key properties of 4,6,6-trimethyl-1-pyridin-2-ylheptan-2-ol?
4,6,6-trimethyl-1-pyridin-2-ylheptan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trimethyl-1-pyridin-2-ylheptan-2-ol is sourced from PubChem (CID 115810990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).