5-ethoxy-2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptane

C11H21NO2 — CID 167291921

IUPAC5-ethoxy-2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptane
SMILESCCOC1CC2CC1CN2CCOC
InChIInChI=1S/C11H21NO2/c1-3-14-11-7-10-6-9(11)8-12(10)4-5-13-2/h9-11H,3-8H2,1-2H3
InChIKeyYDSWUQLVVYDDEB-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.13
Rot. Bonds5

About 5-ethoxy-2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptane

5-ethoxy-2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptane (PubChem CID 167291921) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 5-ethoxy-2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-ethoxy-2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptane
PubChem CID167291921
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name5-ethoxy-2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptane
SMILESCCOC1CC2CC1CN2CCOC
InChIInChI=1S/C11H21NO2/c1-3-14-11-7-10-6-9(11)8-12(10)4-5-13-2/h9-11H,3-8H2,1-2H3
InChIKeyYDSWUQLVVYDDEB-UHFFFAOYSA-N
XLogP1.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-ethoxy-2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-ethoxy-2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptane (CID 167291921) is 5-ethoxy-2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-ethoxy-2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-ethoxy-2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptane is CCOC1CC2CC1CN2CCOC.
What is the InChIKey of 5-ethoxy-2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is YDSWUQLVVYDDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-14-11-7-10-6-9(11)8-12(10)4-5-13-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 5-ethoxy-2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptane?
5-ethoxy-2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 199.29 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 167291921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).