2-methyl-2,6-diazaspiro[3.3]heptane
CAS No.：
Cat. No.: SC23505
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Product Name :2-methyl-2,6-diazaspiro[3.3]heptane
Cat. No.: :SC23505
Purity / Specification :—
CAS No. :1203567-11-6
MDL No. :MFCD22205723
Molecular Formula :C6H12N2
LogP :-0.50
Molecular Weight :112.18
TPSA :15.3
Category :Building Blocks
HSN Code :—
SMILES Code :CN1CC2(CNC2)C1
Melting Point :—
InChI Key : :ALPTZPFVGLVIKK-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 112.2 Da
LogP ≤ 5✓ -0.50
HBD ≤ 5✓ 1
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i41/100
Fragment / low drug-likeness
Predicted LogP
i-0.50log units
Hydrophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 15.3Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.