4-tert-butyl-1-oxa-4,8-diazaspiro[4.5]decane

C11H22N2O — CID 58245144

IUPAC4-tert-butyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCOC12CCNCC2
InChIInChI=1S/C11H22N2O/c1-10(2,3)13-8-9-14-11(13)4-6-12-7-5-11/h12H,4-9H2,1-3H3
InChIKeyBLOGFERBYROCCD-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.20
Rot. Bonds

About 4-tert-butyl-1-oxa-4,8-diazaspiro[4.5]decane

4-tert-butyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 58245144) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-tert-butyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-tert-butyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID58245144
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-tert-butyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCOC12CCNCC2
InChIInChI=1S/C11H22N2O/c1-10(2,3)13-8-9-14-11(13)4-6-12-7-5-11/h12H,4-9H2,1-3H3
InChIKeyBLOGFERBYROCCD-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4-tert-butyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 58245144) is 4-tert-butyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-tert-butyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-tert-butyl-1-oxa-4,8-diazaspiro[4.5]decane is CC(C)(C)N1CCOC12CCNCC2.
What is the InChIKey of 4-tert-butyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is BLOGFERBYROCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(2,3)13-8-9-14-11(13)4-6-12-7-5-11/h12H,4-9H2,1-3H3.
What are the key properties of 4-tert-butyl-1-oxa-4,8-diazaspiro[4.5]decane?
4-tert-butyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 198.31 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 58245144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).