3,4-dihydro-2H-pyrrol-5-amine

CAS No.：

Cat. No.: SC24655

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Product Name :3,4-dihydro-2H-pyrrol-5-amine

Cat. No.: :SC24655

Purity / Specification :—

CAS No. :872-34-4

MDL No. :MFCD11036037

Molecular Formula :C₄H₈N₂

LogP :-0.90

Molecular Weight :84.12

TPSA :38.4

Category :Building Blocks

HSN Code :—

SMILES Code :NC1=NCCC1

Melting Point :—

InChI Key : :NJBMZYSKLWQXLJ-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✓ 84.1 Da

LogP ≤ 5✓ -0.90

HBD ≤ 5✓ 1

HBA ≤ 10✓ 1

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

42/100

Fragment / low drug-likeness

Predicted LogP

-0.90log units

Hydrophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 38.4Å² · 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.