6-ethoxy-1-azabicyclo[3.2.1]octane;hydrochloride

C9H18ClNO — CID 70421337

IUPAC6-ethoxy-1-azabicyclo[3.2.1]octane;hydrochloride
SMILESCCOC1CN2CCCC1C2.Cl
InChIInChI=1S/C9H17NO.ClH/c1-2-11-9-7-10-5-3-4-8(9)6-10;/h8-9H,2-7H2,1H3;1H
InChIKeyLZEMITVJCHISAT-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.54
Rot. Bonds2

About 6-ethoxy-1-azabicyclo[3.2.1]octane;hydrochloride

6-ethoxy-1-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 70421337) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 6-ethoxy-1-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name6-ethoxy-1-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID70421337
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name6-ethoxy-1-azabicyclo[3.2.1]octane;hydrochloride
SMILESCCOC1CN2CCCC1C2.Cl
InChIInChI=1S/C9H17NO.ClH/c1-2-11-9-7-10-5-3-4-8(9)6-10;/h8-9H,2-7H2,1H3;1H
InChIKeyLZEMITVJCHISAT-UHFFFAOYSA-N
XLogP1.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-ethoxy-1-azabicyclo[3.2.1]octane;hydrochloride 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-ethoxy-1-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 6-ethoxy-1-azabicyclo[3.2.1]octane;hydrochloride (CID 70421337) is 6-ethoxy-1-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 6-ethoxy-1-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 6-ethoxy-1-azabicyclo[3.2.1]octane;hydrochloride is CCOC1CN2CCCC1C2.Cl.
What is the InChIKey of 6-ethoxy-1-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is LZEMITVJCHISAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c1-2-11-9-7-10-5-3-4-8(9)6-10;/h8-9H,2-7H2,1H3;1H.
What are the key properties of 6-ethoxy-1-azabicyclo[3.2.1]octane;hydrochloride?
6-ethoxy-1-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 70421337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).