4-tert-butyl-8-oxa-1,4-diazaspiro[5.5]undecane

C12H24N2O — CID 162462245

IUPAC4-tert-butyl-8-oxa-1,4-diazaspiro[5.5]undecane
SMILESCC(C)(C)N1CCNC2(CCCOC2)C1
InChIInChI=1S/C12H24N2O/c1-11(2,3)14-7-6-13-12(9-14)5-4-8-15-10-12/h13H,4-10H2,1-3H3
InChIKeyXJMQYSZVYWOSJQ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds

About 4-tert-butyl-8-oxa-1,4-diazaspiro[5.5]undecane

4-tert-butyl-8-oxa-1,4-diazaspiro[5.5]undecane (PubChem CID 162462245) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-tert-butyl-8-oxa-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-tert-butyl-8-oxa-1,4-diazaspiro[5.5]undecane
PubChem CID162462245
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-tert-butyl-8-oxa-1,4-diazaspiro[5.5]undecane
SMILESCC(C)(C)N1CCNC2(CCCOC2)C1
InChIInChI=1S/C12H24N2O/c1-11(2,3)14-7-6-13-12(9-14)5-4-8-15-10-12/h13H,4-10H2,1-3H3
InChIKeyXJMQYSZVYWOSJQ-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-8-oxa-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-tert-butyl-8-oxa-1,4-diazaspiro[5.5]undecane (CID 162462245) is 4-tert-butyl-8-oxa-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-tert-butyl-8-oxa-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-tert-butyl-8-oxa-1,4-diazaspiro[5.5]undecane is CC(C)(C)N1CCNC2(CCCOC2)C1.
What is the InChIKey of 4-tert-butyl-8-oxa-1,4-diazaspiro[5.5]undecane?
The InChIKey is XJMQYSZVYWOSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2,3)14-7-6-13-12(9-14)5-4-8-15-10-12/h13H,4-10H2,1-3H3.
What are the key properties of 4-tert-butyl-8-oxa-1,4-diazaspiro[5.5]undecane?
4-tert-butyl-8-oxa-1,4-diazaspiro[5.5]undecane has a molecular weight of 212.34 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-8-oxa-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 162462245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).