2-tert-butyl-9-oxa-2,6-diazaspiro[4.5]decane

C11H22N2O — CID 162462266

IUPAC2-tert-butyl-9-oxa-2,6-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(COCCN2)C1
InChIInChI=1S/C11H22N2O/c1-10(2,3)13-6-4-11(8-13)9-14-7-5-12-11/h12H,4-9H2,1-3H3
InChIKeyBHCIVXUGTUXXIY-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds

About 2-tert-butyl-9-oxa-2,6-diazaspiro[4.5]decane

2-tert-butyl-9-oxa-2,6-diazaspiro[4.5]decane (PubChem CID 162462266) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-tert-butyl-9-oxa-2,6-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-tert-butyl-9-oxa-2,6-diazaspiro[4.5]decane
PubChem CID162462266
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-tert-butyl-9-oxa-2,6-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(COCCN2)C1
InChIInChI=1S/C11H22N2O/c1-10(2,3)13-6-4-11(8-13)9-14-7-5-12-11/h12H,4-9H2,1-3H3
InChIKeyBHCIVXUGTUXXIY-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9-oxa-2,6-diazaspiro[4.5]decane?
The IUPAC name of 2-tert-butyl-9-oxa-2,6-diazaspiro[4.5]decane (CID 162462266) is 2-tert-butyl-9-oxa-2,6-diazaspiro[4.5]decane.
What is the SMILES notation for 2-tert-butyl-9-oxa-2,6-diazaspiro[4.5]decane?
The canonical SMILES for 2-tert-butyl-9-oxa-2,6-diazaspiro[4.5]decane is CC(C)(C)N1CCC2(COCCN2)C1.
What is the InChIKey of 2-tert-butyl-9-oxa-2,6-diazaspiro[4.5]decane?
The InChIKey is BHCIVXUGTUXXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(2,3)13-6-4-11(8-13)9-14-7-5-12-11/h12H,4-9H2,1-3H3.
What are the key properties of 2-tert-butyl-9-oxa-2,6-diazaspiro[4.5]decane?
2-tert-butyl-9-oxa-2,6-diazaspiro[4.5]decane has a molecular weight of 198.31 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9-oxa-2,6-diazaspiro[4.5]decane is sourced from PubChem (CID 162462266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).