3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol

C13H21NO — CID 66459924

IUPAC3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol
SMILESCCC(C)(C)C(O)Cc1ccc(C)cn1
InChIInChI=1S/C13H21NO/c1-5-13(3,4)12(15)8-11-7-6-10(2)9-14-11/h6-7,9,12,15H,5,8H2,1-4H3
InChIKeyGSCWFUFRDXDSRC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.73
Rot. Bonds4

About 3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol

3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol (PubChem CID 66459924) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol
PubChem CID66459924
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol
SMILESCCC(C)(C)C(O)Cc1ccc(C)cn1
InChIInChI=1S/C13H21NO/c1-5-13(3,4)12(15)8-11-7-6-10(2)9-14-11/h6-7,9,12,15H,5,8H2,1-4H3
InChIKeyGSCWFUFRDXDSRC-UHFFFAOYSA-N
XLogP2.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol?
The IUPAC name of 3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol (CID 66459924) is 3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol is CCC(C)(C)C(O)Cc1ccc(C)cn1.
What is the InChIKey of 3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol?
The InChIKey is GSCWFUFRDXDSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-13(3,4)12(15)8-11-7-6-10(2)9-14-11/h6-7,9,12,15H,5,8H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol?
3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol is sourced from PubChem (CID 66459924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).