3-(2-propan-2-yloxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane

C11H21NO2 — CID 89027255

IUPAC3-(2-propan-2-yloxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCC(C)OCCN1CC2CCC(C1)O2
InChIInChI=1S/C11H21NO2/c1-9(2)13-6-5-12-7-10-3-4-11(8-12)14-10/h9-11H,3-8H2,1-2H3
InChIKeyQOCTUFGFJQKCHE-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.27
Rot. Bonds4

About 3-(2-propan-2-yloxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane

3-(2-propan-2-yloxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 89027255) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-(2-propan-2-yloxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2-propan-2-yloxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID89027255
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-(2-propan-2-yloxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCC(C)OCCN1CC2CCC(C1)O2
InChIInChI=1S/C11H21NO2/c1-9(2)13-6-5-12-7-10-3-4-11(8-12)14-10/h9-11H,3-8H2,1-2H3
InChIKeyQOCTUFGFJQKCHE-UHFFFAOYSA-N
XLogP1.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-yloxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2-propan-2-yloxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 89027255) is 3-(2-propan-2-yloxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2-propan-2-yloxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2-propan-2-yloxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane is CC(C)OCCN1CC2CCC(C1)O2.
What is the InChIKey of 3-(2-propan-2-yloxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is QOCTUFGFJQKCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)13-6-5-12-7-10-3-4-11(8-12)14-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-(2-propan-2-yloxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
3-(2-propan-2-yloxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 199.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-yloxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 89027255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).