Dicyclomine

C₁₉H₃₅NO₂ — CID 3042

About Dicyclomine

Dicyclomine (PubChem CID 3042) has the molecular formula C₁₉H₃₅NO₂ and a molecular weight of 309.49 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate.

Molecular Properties

• Compound Name: Dicyclomine
• PubChem CID: 3042
• Molecular Formula: C₁₉H₃₅NO₂
• Molecular Weight: 309.49 g/mol
• Exact Mass: 309.27
• IUPAC Name: 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate
• SMILES: CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1
• InChI: InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3
• InChIKey: CURUTKGFNZGFSE-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 29.54 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.49
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Dicyclomine?

The IUPAC name of Dicyclomine (CID 3042) is 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate.

What is the SMILES notation for Dicyclomine?

The canonical SMILES for Dicyclomine is CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1.

What is the InChIKey of Dicyclomine?

The InChIKey is CURUTKGFNZGFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3.

What are the key properties of Dicyclomine?

Dicyclomine has a molecular weight of 309.49 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Dicyclomine is sourced from PubChem (CID 3042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3042 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 868 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.