3-chloro-8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octane

C14H26ClNO3 — CID 104567144

IUPAC3-chloro-8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octane
SMILESCOCCOCCOCCN1C2CCC1CC(Cl)C2
InChIInChI=1S/C14H26ClNO3/c1-17-6-7-19-9-8-18-5-4-16-13-2-3-14(16)11-12(15)10-13/h12-14H,2-11H2,1H3
InChIKeyXAXXAYAEDKFZNG-UHFFFAOYSA-N
MW291.82 g/mol
LogP1.90
Rot. Bonds9

About 3-chloro-8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octane

3-chloro-8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octane (PubChem CID 104567144) has the molecular formula C14H26ClNO3 and a molecular weight of 291.82 g/mol. Its IUPAC name is 3-chloro-8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-chloro-8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octane
PubChem CID104567144
Molecular FormulaC14H26ClNO3
Molecular Weight291.82 g/mol
Exact Mass291.16
IUPAC Name3-chloro-8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octane
SMILESCOCCOCCOCCN1C2CCC1CC(Cl)C2
InChIInChI=1S/C14H26ClNO3/c1-17-6-7-19-9-8-18-5-4-16-13-2-3-14(16)11-12(15)10-13/h12-14H,2-11H2,1H3
InChIKeyXAXXAYAEDKFZNG-UHFFFAOYSA-N
XLogP1.90
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-chloro-8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octane (CID 104567144) is 3-chloro-8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-chloro-8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-chloro-8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octane is COCCOCCOCCN1C2CCC1CC(Cl)C2.
What is the InChIKey of 3-chloro-8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is XAXXAYAEDKFZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO3/c1-17-6-7-19-9-8-18-5-4-16-13-2-3-14(16)11-12(15)10-13/h12-14H,2-11H2,1H3.
What are the key properties of 3-chloro-8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octane?
3-chloro-8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 291.82 g/mol, XLogP of 1.90, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 104567144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).