6-tert-butyl-11-oxa-2-azatricyclo[6.2.1.02,6]undecane

C13H23NO — CID 176800715

IUPAC6-tert-butyl-11-oxa-2-azatricyclo[6.2.1.02,6]undecane
SMILESCC(C)(C)C12CCCN1C1CCC(C2)O1
InChIInChI=1S/C13H23NO/c1-12(2,3)13-7-4-8-14(13)11-6-5-10(9-13)15-11/h10-11H,4-9H2,1-3H3
InChIKeyJHYRICPBGOSAHS-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.78
Rot. Bonds

About 6-tert-butyl-11-oxa-2-azatricyclo[6.2.1.02,6]undecane

6-tert-butyl-11-oxa-2-azatricyclo[6.2.1.02,6]undecane (PubChem CID 176800715) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 6-tert-butyl-11-oxa-2-azatricyclo[6.2.1.02,6]undecane.

Molecular Properties

Compound Name6-tert-butyl-11-oxa-2-azatricyclo[6.2.1.02,6]undecane
PubChem CID176800715
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name6-tert-butyl-11-oxa-2-azatricyclo[6.2.1.02,6]undecane
SMILESCC(C)(C)C12CCCN1C1CCC(C2)O1
InChIInChI=1S/C13H23NO/c1-12(2,3)13-7-4-8-14(13)11-6-5-10(9-13)15-11/h10-11H,4-9H2,1-3H3
InChIKeyJHYRICPBGOSAHS-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-11-oxa-2-azatricyclo[6.2.1.02,6]undecane?
The IUPAC name of 6-tert-butyl-11-oxa-2-azatricyclo[6.2.1.02,6]undecane (CID 176800715) is 6-tert-butyl-11-oxa-2-azatricyclo[6.2.1.02,6]undecane.
What is the SMILES notation for 6-tert-butyl-11-oxa-2-azatricyclo[6.2.1.02,6]undecane?
The canonical SMILES for 6-tert-butyl-11-oxa-2-azatricyclo[6.2.1.02,6]undecane is CC(C)(C)C12CCCN1C1CCC(C2)O1.
What is the InChIKey of 6-tert-butyl-11-oxa-2-azatricyclo[6.2.1.02,6]undecane?
The InChIKey is JHYRICPBGOSAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-12(2,3)13-7-4-8-14(13)11-6-5-10(9-13)15-11/h10-11H,4-9H2,1-3H3.
What are the key properties of 6-tert-butyl-11-oxa-2-azatricyclo[6.2.1.02,6]undecane?
6-tert-butyl-11-oxa-2-azatricyclo[6.2.1.02,6]undecane has a molecular weight of 209.33 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-11-oxa-2-azatricyclo[6.2.1.02,6]undecane is sourced from PubChem (CID 176800715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).