1-(aminomethyl)-N,N-dimethylcyclopentan-1-amine

CAS No.：

Cat. No.: SC251505

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Product Name :1-(aminomethyl)-N,N-dimethylcyclopentan-1-amine

Cat. No.: :SC251505

Purity / Specification :—

CAS No. :164642-21-1

MDL No. :—

Molecular Formula :C₈H₁₈N₂

LogP :0.40

Molecular Weight :142.25

TPSA :29.3

Category :Drug Discovery

HSN Code :—

SMILES Code :CN(C)C1(CN)CCCC1

Melting Point :—

InChI Key : :OHQDEEKAUZTSQC-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✓ 142.2 Da

LogP ≤ 5✓ 0.40

HBD ≤ 5✓ 1

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

53/100

Fragment / low drug-likeness

Predicted LogP

0.40log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 29.3Å² · 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.