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

C9H17NO2 — CID 156546325

IUPAC6-(2-methoxyethyl)-6-azabicyclo[3.1.1]heptan-3-ol
SMILESCOCCN1C2CC(O)CC1C2
InChIInChI=1S/C9H17NO2/c1-12-3-2-10-7-4-8(10)6-9(11)5-7/h7-9,11H,2-6H2,1H3
InChIKeyXSNRMXMDSFHBKT-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.23
Rot. Bonds3

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

6-(2-methoxyethyl)-6-azabicyclo[3.1.1]heptan-3-ol (PubChem CID 156546325) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 6-(2-methoxyethyl)-6-azabicyclo[3.1.1]heptan-3-ol.

Molecular Properties

Compound Name6-(2-methoxyethyl)-6-azabicyclo[3.1.1]heptan-3-ol
PubChem CID156546325
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name6-(2-methoxyethyl)-6-azabicyclo[3.1.1]heptan-3-ol
SMILESCOCCN1C2CC(O)CC1C2
InChIInChI=1S/C9H17NO2/c1-12-3-2-10-7-4-8(10)6-9(11)5-7/h7-9,11H,2-6H2,1H3
InChIKeyXSNRMXMDSFHBKT-UHFFFAOYSA-N
XLogP0.23
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 ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2-methoxyethyl)-6-azabicyclo[3.1.1]heptan-3-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 6-(2-methoxyethyl)-6-azabicyclo[3.1.1]heptan-3-ol?
The IUPAC name of 6-(2-methoxyethyl)-6-azabicyclo[3.1.1]heptan-3-ol (CID 156546325) is 6-(2-methoxyethyl)-6-azabicyclo[3.1.1]heptan-3-ol.
What is the SMILES notation for 6-(2-methoxyethyl)-6-azabicyclo[3.1.1]heptan-3-ol?
The canonical SMILES for 6-(2-methoxyethyl)-6-azabicyclo[3.1.1]heptan-3-ol is COCCN1C2CC(O)CC1C2.
What is the InChIKey of 6-(2-methoxyethyl)-6-azabicyclo[3.1.1]heptan-3-ol?
The InChIKey is XSNRMXMDSFHBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-12-3-2-10-7-4-8(10)6-9(11)5-7/h7-9,11H,2-6H2,1H3.
What are the key properties of 6-(2-methoxyethyl)-6-azabicyclo[3.1.1]heptan-3-ol?
6-(2-methoxyethyl)-6-azabicyclo[3.1.1]heptan-3-ol has a molecular weight of 171.24 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethyl)-6-azabicyclo[3.1.1]heptan-3-ol is sourced from PubChem (CID 156546325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).