8-(2,2,5,5-tetramethyloxolan-3-yl)-8-azabicyclo[3.2.1]octan-3-ol

C15H27NO2 — CID 114623876

IUPAC8-(2,2,5,5-tetramethyloxolan-3-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC1(C)CC(N2C3CCC2CC(O)C3)C(C)(C)O1
InChIInChI=1S/C15H27NO2/c1-14(2)9-13(15(3,4)18-14)16-10-5-6-11(16)8-12(17)7-10/h10-13,17H,5-9H2,1-4H3
InChIKeyHIIWVSPUAIIRNS-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.32
Rot. Bonds1

About 8-(2,2,5,5-tetramethyloxolan-3-yl)-8-azabicyclo[3.2.1]octan-3-ol

8-(2,2,5,5-tetramethyloxolan-3-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 114623876) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 8-(2,2,5,5-tetramethyloxolan-3-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(2,2,5,5-tetramethyloxolan-3-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID114623876
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name8-(2,2,5,5-tetramethyloxolan-3-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC1(C)CC(N2C3CCC2CC(O)C3)C(C)(C)O1
InChIInChI=1S/C15H27NO2/c1-14(2)9-13(15(3,4)18-14)16-10-5-6-11(16)8-12(17)7-10/h10-13,17H,5-9H2,1-4H3
InChIKeyHIIWVSPUAIIRNS-UHFFFAOYSA-N
XLogP2.32
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2,2,5,5-tetramethyloxolan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79933602
1-(2,2,5,5-tetramethyloxolan-3-yl)azetidin-3-ol
CID 114623874
3-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)azetidin-3-ol
CID 114623881
4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-2-carboxylic acid
CID 114621834
1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
CID 79926969
1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid
CID 79933599
(1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98113652
1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid
CID 79934218
3-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-ol
CID 114624248
1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-3-carbothioamide
CID 114621322
[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methanol
CID 114623860
(1S,5R)-13-azatricyclo[7.3.1.05,13]tridecan-3-ol
CID 131019218

Frequently Asked Questions

What is the IUPAC name of 8-(2,2,5,5-tetramethyloxolan-3-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(2,2,5,5-tetramethyloxolan-3-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 114623876) is 8-(2,2,5,5-tetramethyloxolan-3-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(2,2,5,5-tetramethyloxolan-3-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(2,2,5,5-tetramethyloxolan-3-yl)-8-azabicyclo[3.2.1]octan-3-ol is CC1(C)CC(N2C3CCC2CC(O)C3)C(C)(C)O1.
What is the InChIKey of 8-(2,2,5,5-tetramethyloxolan-3-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is HIIWVSPUAIIRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-14(2)9-13(15(3,4)18-14)16-10-5-6-11(16)8-12(17)7-10/h10-13,17H,5-9H2,1-4H3.
What are the key properties of 8-(2,2,5,5-tetramethyloxolan-3-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(2,2,5,5-tetramethyloxolan-3-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 253.39 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2,5,5-tetramethyloxolan-3-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 114623876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).