3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane

C11H22N2O — CID 89403201

IUPAC3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane
SMILESCC(C)(C)N1CCC2COCC(C1)N2
InChIInChI=1S/C11H22N2O/c1-11(2,3)13-5-4-9-7-14-8-10(6-13)12-9/h9-10,12H,4-8H2,1-3H3
InChIKeyPMCYZSZQIDFEQH-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds

About 3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane

3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane (PubChem CID 89403201) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane.

Molecular Properties

Compound Name3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane
PubChem CID89403201
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane
SMILESCC(C)(C)N1CCC2COCC(C1)N2
InChIInChI=1S/C11H22N2O/c1-11(2,3)13-5-4-9-7-14-8-10(6-13)12-9/h9-10,12H,4-8H2,1-3H3
InChIKeyPMCYZSZQIDFEQH-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 3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane?
The IUPAC name of 3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane (CID 89403201) is 3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane.
What is the SMILES notation for 3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane?
The canonical SMILES for 3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane is CC(C)(C)N1CCC2COCC(C1)N2.
What is the InChIKey of 3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane?
The InChIKey is PMCYZSZQIDFEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2,3)13-5-4-9-7-14-8-10(6-13)12-9/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane?
3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]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 3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane is sourced from PubChem (CID 89403201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).