6-tert-butyl-2-oxa-6-azaspiro[4.5]decane

C12H23NO — CID 162462248

IUPAC6-tert-butyl-2-oxa-6-azaspiro[4.5]decane
SMILESCC(C)(C)N1CCCCC12CCOC2
InChIInChI=1S/C12H23NO/c1-11(2,3)13-8-5-4-6-12(13)7-9-14-10-12/h4-10H2,1-3H3
InChIKeyHBAAFBJEUZBIMA-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.43
Rot. Bonds

About 6-tert-butyl-2-oxa-6-azaspiro[4.5]decane

6-tert-butyl-2-oxa-6-azaspiro[4.5]decane (PubChem CID 162462248) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 6-tert-butyl-2-oxa-6-azaspiro[4.5]decane.

Molecular Properties

Compound Name6-tert-butyl-2-oxa-6-azaspiro[4.5]decane
PubChem CID162462248
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name6-tert-butyl-2-oxa-6-azaspiro[4.5]decane
SMILESCC(C)(C)N1CCCCC12CCOC2
InChIInChI=1S/C12H23NO/c1-11(2,3)13-8-5-4-6-12(13)7-9-14-10-12/h4-10H2,1-3H3
InChIKeyHBAAFBJEUZBIMA-UHFFFAOYSA-N
XLogP2.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-oxa-6-azaspiro[4.5]decane?
The IUPAC name of 6-tert-butyl-2-oxa-6-azaspiro[4.5]decane (CID 162462248) is 6-tert-butyl-2-oxa-6-azaspiro[4.5]decane.
What is the SMILES notation for 6-tert-butyl-2-oxa-6-azaspiro[4.5]decane?
The canonical SMILES for 6-tert-butyl-2-oxa-6-azaspiro[4.5]decane is CC(C)(C)N1CCCCC12CCOC2.
What is the InChIKey of 6-tert-butyl-2-oxa-6-azaspiro[4.5]decane?
The InChIKey is HBAAFBJEUZBIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2,3)13-8-5-4-6-12(13)7-9-14-10-12/h4-10H2,1-3H3.
What are the key properties of 6-tert-butyl-2-oxa-6-azaspiro[4.5]decane?
6-tert-butyl-2-oxa-6-azaspiro[4.5]decane has a molecular weight of 197.32 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-oxa-6-azaspiro[4.5]decane is sourced from PubChem (CID 162462248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).