3-(6-tert-butyl-3-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane

C15H22N2O — CID 155245209

IUPAC3-(6-tert-butyl-3-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCC(C)(C)c1ccc(N2CC3CCC(C2)O3)cn1
InChIInChI=1S/C15H22N2O/c1-15(2,3)14-7-4-11(8-16-14)17-9-12-5-6-13(10-17)18-12/h4,7-8,12-13H,5-6,9-10H2,1-3H3
InChIKeyLVAAYGNVGVWLAZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.75
Rot. Bonds1

About 3-(6-tert-butyl-3-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane

3-(6-tert-butyl-3-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 155245209) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(6-tert-butyl-3-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(6-tert-butyl-3-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID155245209
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(6-tert-butyl-3-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCC(C)(C)c1ccc(N2CC3CCC(C2)O3)cn1
InChIInChI=1S/C15H22N2O/c1-15(2,3)14-7-4-11(8-16-14)17-9-12-5-6-13(10-17)18-12/h4,7-8,12-13H,5-6,9-10H2,1-3H3
InChIKeyLVAAYGNVGVWLAZ-UHFFFAOYSA-N
XLogP2.75
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butyl-3-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(6-tert-butyl-3-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 155245209) is 3-(6-tert-butyl-3-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(6-tert-butyl-3-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(6-tert-butyl-3-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane is CC(C)(C)c1ccc(N2CC3CCC(C2)O3)cn1.
What is the InChIKey of 3-(6-tert-butyl-3-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is LVAAYGNVGVWLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2,3)14-7-4-11(8-16-14)17-9-12-5-6-13(10-17)18-12/h4,7-8,12-13H,5-6,9-10H2,1-3H3.
What are the key properties of 3-(6-tert-butyl-3-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane?
3-(6-tert-butyl-3-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 246.35 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butyl-3-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 155245209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).