8-[6-(chloromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decane

C14H20ClN3 — CID 66467792

IUPAC8-[6-(chloromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decane
SMILESClCc1cncc(N2CCC3(CCCC3)CC2)n1
InChIInChI=1S/C14H20ClN3/c15-9-12-10-16-11-13(17-12)18-7-5-14(6-8-18)3-1-2-4-14/h10-11H,1-9H2
InChIKeyOGWJMHCLQQWKIE-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.38
Rot. Bonds2

About 8-[6-(chloromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decane

8-[6-(chloromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decane (PubChem CID 66467792) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 8-[6-(chloromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[6-(chloromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decane
PubChem CID66467792
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name8-[6-(chloromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decane
SMILESClCc1cncc(N2CCC3(CCCC3)CC2)n1
InChIInChI=1S/C14H20ClN3/c15-9-12-10-16-11-13(17-12)18-7-5-14(6-8-18)3-1-2-4-14/h10-11H,1-9H2
InChIKeyOGWJMHCLQQWKIE-UHFFFAOYSA-N
XLogP3.38
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[6-(chloromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decane 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-[6-(chloromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decane?
The IUPAC name of 8-[6-(chloromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decane (CID 66467792) is 8-[6-(chloromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[6-(chloromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[6-(chloromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decane is ClCc1cncc(N2CCC3(CCCC3)CC2)n1.
What is the InChIKey of 8-[6-(chloromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decane?
The InChIKey is OGWJMHCLQQWKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c15-9-12-10-16-11-13(17-12)18-7-5-14(6-8-18)3-1-2-4-14/h10-11H,1-9H2.
What are the key properties of 8-[6-(chloromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decane?
8-[6-(chloromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decane has a molecular weight of 265.79 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(chloromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decane is sourced from PubChem (CID 66467792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).