5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane

C9H17NO2 — CID 3069289

IUPAC5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane
SMILESCC(C)(C)C12CNCC(CO1)O2
InChIInChI=1S/C9H17NO2/c1-8(2,3)9-6-10-4-7(12-9)5-11-9/h7,10H,4-6H2,1-3H3
InChIKeyBSTLXWNOCNYPIJ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.75
Rot. Bonds

About 5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane

5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane (PubChem CID 3069289) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane
PubChem CID3069289
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane
SMILESCC(C)(C)C12CNCC(CO1)O2
InChIInChI=1S/C9H17NO2/c1-8(2,3)9-6-10-4-7(12-9)5-11-9/h7,10H,4-6H2,1-3H3
InChIKeyBSTLXWNOCNYPIJ-UHFFFAOYSA-N
XLogP0.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65035113
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CID 65103646
8-tert-butyl-6,9-dioxa-2-azaspiro[3.6]decane
CID 170728235
ethane;1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 177246410
4-tert-butyl-3,3-dimethylpyrrolidine
CID 121207422
(6,6-ditert-butyl-1,4-oxazepan-2-yl)methanamine
CID 169017959
(7R)-7-methyl-2,6-dioxa-9-azaspiro[3.6]decane
CID 170028194
(E)-but-2-enedioic acid;5-thiophen-2-yl-6,8-dioxa-3-azabicyclo[3.2.1]octane
CID 6448234
2,2,6-trimethylmorpholine;hydrochloride
CID 172641070
(1R,5S)-5-methyl-3,6,8-trioxabicyclo[3.2.1]octane
CID 71445982
(4R)-4-tert-butyl-2,2-dimethyl-1,3-oxazolidine
CID 130656460
3-tert-butyl-1-oxa-8-azaspiro[4.5]decane
CID 171431706

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane (CID 3069289) is 5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane is CC(C)(C)C12CNCC(CO1)O2.
What is the InChIKey of 5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane?
The InChIKey is BSTLXWNOCNYPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2,3)9-6-10-4-7(12-9)5-11-9/h7,10H,4-6H2,1-3H3.
What are the key properties of 5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane?
5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane has a molecular weight of 171.24 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 3069289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).