N-cyclohexylidenehydroxylamine
CAS No.：
Cat. No.: SC23453
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Product Name :N-cyclohexylidenehydroxylamine
Cat. No.: :SC23453
Purity / Specification :—
CAS No. :100-64-1
MDL No. :—
Molecular Formula :C6H11NO
LogP :1.20
Molecular Weight :113.16
TPSA :32.6
Category :Building Blocks
HSN Code :—
SMILES Code :ON=C1CCCCC1
Melting Point :192 to 196 °F (NTP, 1992)
InChI Key : :VEZUQRBDRNJBJY-UHFFFAOYSA-N
Boiling Point :403 to 410 °F at 760 mmHg (NTP, 1992)
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 113.2 Da
LogP ≤ 5✓ 1.20
HBD ≤ 5✓ 1
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i58/100
Moderate — typical building block
Predicted LogP
i1.20log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 32.6Ų · 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.