2-(ethoxymethyl)-3,8-dimethyl-8-azabicyclo[3.2.1]octane

C12H23NO — CID 58270657

IUPAC2-(ethoxymethyl)-3,8-dimethyl-8-azabicyclo[3.2.1]octane
SMILESCCOCC1C(C)CC2CCC1N2C
InChIInChI=1S/C12H23NO/c1-4-14-8-11-9(2)7-10-5-6-12(11)13(10)3/h9-12H,4-8H2,1-3H3
InChIKeyJBVUWYUXQOILGX-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.14
Rot. Bonds3

About 2-(ethoxymethyl)-3,8-dimethyl-8-azabicyclo[3.2.1]octane

2-(ethoxymethyl)-3,8-dimethyl-8-azabicyclo[3.2.1]octane (PubChem CID 58270657) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(ethoxymethyl)-3,8-dimethyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2-(ethoxymethyl)-3,8-dimethyl-8-azabicyclo[3.2.1]octane
PubChem CID58270657
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(ethoxymethyl)-3,8-dimethyl-8-azabicyclo[3.2.1]octane
SMILESCCOCC1C(C)CC2CCC1N2C
InChIInChI=1S/C12H23NO/c1-4-14-8-11-9(2)7-10-5-6-12(11)13(10)3/h9-12H,4-8H2,1-3H3
InChIKeyJBVUWYUXQOILGX-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-3,8-dimethyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 2-(ethoxymethyl)-3,8-dimethyl-8-azabicyclo[3.2.1]octane (CID 58270657) is 2-(ethoxymethyl)-3,8-dimethyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 2-(ethoxymethyl)-3,8-dimethyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 2-(ethoxymethyl)-3,8-dimethyl-8-azabicyclo[3.2.1]octane is CCOCC1C(C)CC2CCC1N2C.
What is the InChIKey of 2-(ethoxymethyl)-3,8-dimethyl-8-azabicyclo[3.2.1]octane?
The InChIKey is JBVUWYUXQOILGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-14-8-11-9(2)7-10-5-6-12(11)13(10)3/h9-12H,4-8H2,1-3H3.
What are the key properties of 2-(ethoxymethyl)-3,8-dimethyl-8-azabicyclo[3.2.1]octane?
2-(ethoxymethyl)-3,8-dimethyl-8-azabicyclo[3.2.1]octane has a molecular weight of 197.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-3,8-dimethyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 58270657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).