(1R)-1-cyclopropylethanamine

CAS No.：

Cat. No.: SC24697

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Product Name :(1R)-1-cyclopropylethanamine

Cat. No.: :SC24697

Purity / Specification :—

CAS No. :6240-96-6

MDL No. :MFCD0806428

Molecular Formula :C₅H₁₁N

LogP :0.50

Molecular Weight :85.15

TPSA :26.0

Category :Building Blocks

HSN Code :—

SMILES Code :C[C@H](C1CC1)N

Melting Point :—

InChI Key : :IXCXVGWKYIDNOS-SCSAIBSYSA-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✓ 85.2 Da

LogP ≤ 5✓ 0.50

HBD ≤ 5✓ 1

HBA ≤ 10✓ 1

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

48/100

Fragment / low drug-likeness

Predicted LogP

0.50log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 26.0Å² · 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.