8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octane

C9H18N2O — CID 84618280

IUPAC8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octane
SMILESCOCCN1C2CCC1CNC2
InChIInChI=1S/C9H18N2O/c1-12-5-4-11-8-2-3-9(11)7-10-6-8/h8-10H,2-7H2,1H3
InChIKeyKSKCECJVLWFDLZ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.07
Rot. Bonds3

About 8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octane

8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 84618280) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID84618280
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octane
SMILESCOCCN1C2CCC1CNC2
InChIInChI=1S/C9H18N2O/c1-12-5-4-11-8-2-3-9(11)7-10-6-8/h8-10H,2-7H2,1H3
InChIKeyKSKCECJVLWFDLZ-UHFFFAOYSA-N
XLogP0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(2-methoxyethyl)-3,8-diazabicyclo[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 8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octane (CID 84618280) is 8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octane is COCCN1C2CCC1CNC2.
What is the InChIKey of 8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is KSKCECJVLWFDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-12-5-4-11-8-2-3-9(11)7-10-6-8/h8-10H,2-7H2,1H3.
What are the key properties of 8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octane?
8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 170.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 84618280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).