1-tert-butyl-7-ethyl-4-methyl-2,6-dioxa-7-azabicyclo[2.2.2]octane

C12H23NO2 — CID 10774962

IUPAC1-tert-butyl-7-ethyl-4-methyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
SMILESCCN1CC2(C)COC1(C(C)(C)C)OC2
InChIInChI=1S/C12H23NO2/c1-6-13-7-11(5)8-14-12(13,15-9-11)10(2,3)4/h6-9H2,1-5H3
InChIKeyILWNOIVMWABRRZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.07
Rot. Bonds1

About 1-tert-butyl-7-ethyl-4-methyl-2,6-dioxa-7-azabicyclo[2.2.2]octane

1-tert-butyl-7-ethyl-4-methyl-2,6-dioxa-7-azabicyclo[2.2.2]octane (PubChem CID 10774962) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-tert-butyl-7-ethyl-4-methyl-2,6-dioxa-7-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-tert-butyl-7-ethyl-4-methyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
PubChem CID10774962
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-tert-butyl-7-ethyl-4-methyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
SMILESCCN1CC2(C)COC1(C(C)(C)C)OC2
InChIInChI=1S/C12H23NO2/c1-6-13-7-11(5)8-14-12(13,15-9-11)10(2,3)4/h6-9H2,1-5H3
InChIKeyILWNOIVMWABRRZ-UHFFFAOYSA-N
XLogP2.07
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-7-ethyl-4-methyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
The IUPAC name of 1-tert-butyl-7-ethyl-4-methyl-2,6-dioxa-7-azabicyclo[2.2.2]octane (CID 10774962) is 1-tert-butyl-7-ethyl-4-methyl-2,6-dioxa-7-azabicyclo[2.2.2]octane.
What is the SMILES notation for 1-tert-butyl-7-ethyl-4-methyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
The canonical SMILES for 1-tert-butyl-7-ethyl-4-methyl-2,6-dioxa-7-azabicyclo[2.2.2]octane is CCN1CC2(C)COC1(C(C)(C)C)OC2.
What is the InChIKey of 1-tert-butyl-7-ethyl-4-methyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
The InChIKey is ILWNOIVMWABRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-13-7-11(5)8-14-12(13,15-9-11)10(2,3)4/h6-9H2,1-5H3.
What are the key properties of 1-tert-butyl-7-ethyl-4-methyl-2,6-dioxa-7-azabicyclo[2.2.2]octane?
1-tert-butyl-7-ethyl-4-methyl-2,6-dioxa-7-azabicyclo[2.2.2]octane has a molecular weight of 213.32 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-7-ethyl-4-methyl-2,6-dioxa-7-azabicyclo[2.2.2]octane is sourced from PubChem (CID 10774962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).