4-amino-N-methylcyclohexane-1-carboxamide

CAS No.：

Cat. No.: SC24609

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Product Name :4-amino-N-methylcyclohexane-1-carboxamide

Cat. No.: :SC24609

Purity / Specification :—

CAS No. :1016516-03-2

MDL No. :MFCD0981345

Molecular Formula :C₈H₁₆N₂O

LogP :-0.20

Molecular Weight :156.23

TPSA :55.1

Category :Building Blocks

HSN Code :—

SMILES Code :CNC(=O)C1CCC(N)CC1

Melting Point :—

InChI Key : :BAAXLXOXUTWMSB-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✓ 156.2 Da

LogP ≤ 5✓ -0.20

HBD ≤ 5✓ 2

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

55/100

Moderate — typical building block

Predicted LogP

-0.20log units

Hydrophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 55.1Å² · 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.