6-[3-(2-ethoxyethoxy)propyl]-8-oxa-6-azabicyclo[3.2.1]octane

C13H25NO3 — CID 3056550

IUPAC6-[3-(2-ethoxyethoxy)propyl]-8-oxa-6-azabicyclo[3.2.1]octane
SMILESCCOCCOCCCN1CC2CCCC1O2
InChIInChI=1S/C13H25NO3/c1-2-15-9-10-16-8-4-7-14-11-12-5-3-6-13(14)17-12/h12-13H,2-11H2,1H3
InChIKeyVXKVVXXJHGUYAQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.64
Rot. Bonds8

About 6-[3-(2-ethoxyethoxy)propyl]-8-oxa-6-azabicyclo[3.2.1]octane

6-[3-(2-ethoxyethoxy)propyl]-8-oxa-6-azabicyclo[3.2.1]octane (PubChem CID 3056550) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 6-[3-(2-ethoxyethoxy)propyl]-8-oxa-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-[3-(2-ethoxyethoxy)propyl]-8-oxa-6-azabicyclo[3.2.1]octane
PubChem CID3056550
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name6-[3-(2-ethoxyethoxy)propyl]-8-oxa-6-azabicyclo[3.2.1]octane
SMILESCCOCCOCCCN1CC2CCCC1O2
InChIInChI=1S/C13H25NO3/c1-2-15-9-10-16-8-4-7-14-11-12-5-3-6-13(14)17-12/h12-13H,2-11H2,1H3
InChIKeyVXKVVXXJHGUYAQ-UHFFFAOYSA-N
XLogP1.64
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[3-(2-ethoxyethoxy)propyl]-8-oxa-6-azabicyclo[3.2.1]octane 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-[3-(2-ethoxyethoxy)propyl]-8-oxa-6-azabicyclo[3.2.1]octane?
The IUPAC name of 6-[3-(2-ethoxyethoxy)propyl]-8-oxa-6-azabicyclo[3.2.1]octane (CID 3056550) is 6-[3-(2-ethoxyethoxy)propyl]-8-oxa-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for 6-[3-(2-ethoxyethoxy)propyl]-8-oxa-6-azabicyclo[3.2.1]octane?
The canonical SMILES for 6-[3-(2-ethoxyethoxy)propyl]-8-oxa-6-azabicyclo[3.2.1]octane is CCOCCOCCCN1CC2CCCC1O2.
What is the InChIKey of 6-[3-(2-ethoxyethoxy)propyl]-8-oxa-6-azabicyclo[3.2.1]octane?
The InChIKey is VXKVVXXJHGUYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-2-15-9-10-16-8-4-7-14-11-12-5-3-6-13(14)17-12/h12-13H,2-11H2,1H3.
What are the key properties of 6-[3-(2-ethoxyethoxy)propyl]-8-oxa-6-azabicyclo[3.2.1]octane?
6-[3-(2-ethoxyethoxy)propyl]-8-oxa-6-azabicyclo[3.2.1]octane has a molecular weight of 243.35 g/mol, XLogP of 1.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-ethoxyethoxy)propyl]-8-oxa-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 3056550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).