5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane

C9H18N2O — CID 155822342

IUPAC5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane
SMILESCOCCN1CCCC12CNC2
InChIInChI=1S/C9H18N2O/c1-12-6-5-11-4-2-3-9(11)7-10-8-9/h10H,2-8H2,1H3
InChIKeySBGOUEPNOLRXHW-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.07
Rot. Bonds3

About 5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane

5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane (PubChem CID 155822342) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane.

Molecular Properties

Compound Name5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane
PubChem CID155822342
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane
SMILESCOCCN1CCCC12CNC2
InChIInChI=1S/C9H18N2O/c1-12-6-5-11-4-2-3-9(11)7-10-8-9/h10H,2-8H2,1H3
InChIKeySBGOUEPNOLRXHW-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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane?
The IUPAC name of 5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane (CID 155822342) is 5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane.
What is the SMILES notation for 5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane?
The canonical SMILES for 5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane is COCCN1CCCC12CNC2.
What is the InChIKey of 5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane?
The InChIKey is SBGOUEPNOLRXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-12-6-5-11-4-2-3-9(11)7-10-8-9/h10H,2-8H2,1H3.
What are the key properties of 5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane?
5-(2-methoxyethyl)-2,5-diazaspiro[3.4]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 5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane is sourced from PubChem (CID 155822342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).