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

C10H19NO — CID 172524075

IUPAC6-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCC(C)(C)C1CC2CNCC1O2
InChIInChI=1S/C10H19NO/c1-10(2,3)8-4-7-5-11-6-9(8)12-7/h7-9,11H,4-6H2,1-3H3
InChIKeyCXPICPZISMEPOY-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds

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

6-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 172524075) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 6-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID172524075
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name6-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCC(C)(C)C1CC2CNCC1O2
InChIInChI=1S/C10H19NO/c1-10(2,3)8-4-7-5-11-6-9(8)12-7/h7-9,11H,4-6H2,1-3H3
InChIKeyCXPICPZISMEPOY-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 6-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane (CID 172524075) is 6-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 6-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 6-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane is CC(C)(C)C1CC2CNCC1O2.
What is the InChIKey of 6-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is CXPICPZISMEPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,3)8-4-7-5-11-6-9(8)12-7/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 6-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane?
6-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 169.27 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 172524075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).