1,1-diethoxy-N,N-dimethylethanamine

CAS No.：

Cat. No.: SC25893

Available on Request

Price on Request

Bulk Inquiry

Product Name :1,1-diethoxy-N,N-dimethylethanamine

Cat. No.: :SC25893

Purity / Specification :—

CAS No. :19429-85-7

MDL No. :MFCD1687671

Molecular Formula :C₈H₁₉NO₂

LogP :1.10

Molecular Weight :161.25

TPSA :21.7

Category :Building Blocks

HSN Code :—

SMILES Code :CCOC(C)(N(C)C)OCC

Melting Point :—

InChI Key : :XUFDMPZZAIRCGV-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✓ 161.2 Da

LogP ≤ 5✓ 1.10

HBD ≤ 5✓ 0

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

60/100

Moderate — typical building block

Predicted LogP

1.10log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 21.7Å² · 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.