2,2-dimethylcyclopentan-1-amine

CAS No.：

Cat. No.: SC251037

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Product Name :2,2-dimethylcyclopentan-1-amine

Cat. No.: :SC251037

Purity / Specification :—

CAS No. :2387333-43-7

MDL No. :—

Molecular Formula :C₈H₇FO₃

LogP :1.54

Molecular Weight :170.14

TPSA :57.5

Category :Building Blocks

HSN Code :—

SMILES Code :Cc1c(O)ccc(F)c1C(=O)O

Melting Point :—

InChI Key : :SCNSBSVKRHOWJW-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 170.1 Da

LogP ≤ 5✓ 1.54

HBD ≤ 5✓ 2

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

70/100

Good drug-like profile

Predicted LogP

1.54log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 57.5Å² · 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.