3-(2-methoxyethyl)-3-azabicyclo[3.1.1]heptan-6-ol

C9H17NO2 — CID 156546496

IUPAC3-(2-methoxyethyl)-3-azabicyclo[3.1.1]heptan-6-ol
SMILESCOCCN1CC2CC(C1)C2O
InChIInChI=1S/C9H17NO2/c1-12-3-2-10-5-7-4-8(6-10)9(7)11/h7-9,11H,2-6H2,1H3
InChIKeyAXXVEQIUKWZSKD-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.05
Rot. Bonds3

About 3-(2-methoxyethyl)-3-azabicyclo[3.1.1]heptan-6-ol

3-(2-methoxyethyl)-3-azabicyclo[3.1.1]heptan-6-ol (PubChem CID 156546496) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-3-azabicyclo[3.1.1]heptan-6-ol.

Molecular Properties

Compound Name3-(2-methoxyethyl)-3-azabicyclo[3.1.1]heptan-6-ol
PubChem CID156546496
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(2-methoxyethyl)-3-azabicyclo[3.1.1]heptan-6-ol
SMILESCOCCN1CC2CC(C1)C2O
InChIInChI=1S/C9H17NO2/c1-12-3-2-10-5-7-4-8(6-10)9(7)11/h7-9,11H,2-6H2,1H3
InChIKeyAXXVEQIUKWZSKD-UHFFFAOYSA-N
XLogP-0.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-methoxyethyl)-3-azabicyclo[3.1.1]heptan-6-ol 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 3-(2-methoxyethyl)-3-azabicyclo[3.1.1]heptan-6-ol?
The IUPAC name of 3-(2-methoxyethyl)-3-azabicyclo[3.1.1]heptan-6-ol (CID 156546496) is 3-(2-methoxyethyl)-3-azabicyclo[3.1.1]heptan-6-ol.
What is the SMILES notation for 3-(2-methoxyethyl)-3-azabicyclo[3.1.1]heptan-6-ol?
The canonical SMILES for 3-(2-methoxyethyl)-3-azabicyclo[3.1.1]heptan-6-ol is COCCN1CC2CC(C1)C2O.
What is the InChIKey of 3-(2-methoxyethyl)-3-azabicyclo[3.1.1]heptan-6-ol?
The InChIKey is AXXVEQIUKWZSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-12-3-2-10-5-7-4-8(6-10)9(7)11/h7-9,11H,2-6H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-3-azabicyclo[3.1.1]heptan-6-ol?
3-(2-methoxyethyl)-3-azabicyclo[3.1.1]heptan-6-ol has a molecular weight of 171.24 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-3-azabicyclo[3.1.1]heptan-6-ol is sourced from PubChem (CID 156546496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).