[(2S)-pyrrolidin-2-yl]methanamine;dihydrochloride

CAS No.：

Cat. No.: SC24686

Available on Request

Price on Request

Bulk Inquiry

Product Name :[(2S)-pyrrolidin-2-yl]methanamine;dihydrochloride

Cat. No.: :SC24686

Purity / Specification :—

CAS No. :103382-84-9

MDL No. :MFCD1197489

Molecular Formula :C₅H₁₄Cl₂N₂

LogP :0.54

Molecular Weight :173.08

TPSA :38.1

Category :Building Blocks

HSN Code :—

SMILES Code :Cl.Cl.NC[C@@H]1CCCN1

Melting Point :—

InChI Key : :QZRLFKCODRAOAY-XRIGFGBMSA-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✓ 173.1 Da

LogP ≤ 5✓ 0.54

HBD ≤ 5✓ 4

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

54/100

Fragment / low drug-likeness

Predicted LogP

0.54log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 38.1Å² · 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.