5-tert-butyl-2-oxa-8-azaspiro[3.5]nonane

C11H21NO — CID 155469967

IUPAC5-tert-butyl-2-oxa-8-azaspiro[3.5]nonane
SMILESCC(C)(C)C1CCNCC12COC2
InChIInChI=1S/C11H21NO/c1-10(2,3)9-4-5-12-6-11(9)7-13-8-11/h9,12H,4-8H2,1-3H3
InChIKeyMMGDEZSFHKOLGF-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.66
Rot. Bonds

About 5-tert-butyl-2-oxa-8-azaspiro[3.5]nonane

5-tert-butyl-2-oxa-8-azaspiro[3.5]nonane (PubChem CID 155469967) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 5-tert-butyl-2-oxa-8-azaspiro[3.5]nonane.

Molecular Properties

Compound Name5-tert-butyl-2-oxa-8-azaspiro[3.5]nonane
PubChem CID155469967
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name5-tert-butyl-2-oxa-8-azaspiro[3.5]nonane
SMILESCC(C)(C)C1CCNCC12COC2
InChIInChI=1S/C11H21NO/c1-10(2,3)9-4-5-12-6-11(9)7-13-8-11/h9,12H,4-8H2,1-3H3
InChIKeyMMGDEZSFHKOLGF-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-oxa-8-azaspiro[3.5]nonane?
The IUPAC name of 5-tert-butyl-2-oxa-8-azaspiro[3.5]nonane (CID 155469967) is 5-tert-butyl-2-oxa-8-azaspiro[3.5]nonane.
What is the SMILES notation for 5-tert-butyl-2-oxa-8-azaspiro[3.5]nonane?
The canonical SMILES for 5-tert-butyl-2-oxa-8-azaspiro[3.5]nonane is CC(C)(C)C1CCNCC12COC2.
What is the InChIKey of 5-tert-butyl-2-oxa-8-azaspiro[3.5]nonane?
The InChIKey is MMGDEZSFHKOLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2,3)9-4-5-12-6-11(9)7-13-8-11/h9,12H,4-8H2,1-3H3.
What are the key properties of 5-tert-butyl-2-oxa-8-azaspiro[3.5]nonane?
5-tert-butyl-2-oxa-8-azaspiro[3.5]nonane has a molecular weight of 183.29 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-oxa-8-azaspiro[3.5]nonane is sourced from PubChem (CID 155469967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).