8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane

C₁₅H₂₃N₂+ — CID 152824720

About 8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane

8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane (PubChem CID 152824720) has the molecular formula C₁₅H₂₃N₂+ and a molecular weight of 231.36 g/mol. Its IUPAC name is 8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane.

Molecular Properties

• Compound Name: 8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane
• PubChem CID: 152824720
• Molecular Formula: C₁₅H₂₃N₂+
• Molecular Weight: 231.36 g/mol
• Exact Mass: 231.19
• IUPAC Name: 8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane
• SMILES: Cc1ccc(N2CC[N+]3(CCCC3)CC2)cc1
• InChI: InChI=1S/C15H23N2/c1-14-4-6-15(7-5-14)16-8-12-17(13-9-16)10-2-3-11-17/h4-7H,2-3,8-13H2,1H3/q+1
• InChIKey: SUTXTGKVJUKRAL-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	231.36
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane?

The IUPAC name of 8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane (CID 152824720) is 8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane.

What is the SMILES notation for 8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane?

The canonical SMILES for 8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane is Cc1ccc(N2CC[N+]3(CCCC3)CC2)cc1.

What is the InChIKey of 8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane?

The InChIKey is SUTXTGKVJUKRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N2/c1-14-4-6-15(7-5-14)16-8-12-17(13-9-16)10-2-3-11-17/h4-7H,2-3,8-13H2,1H3/q+1.

What are the key properties of 8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane?

8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane has a molecular weight of 231.36 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane is sourced from PubChem (CID 152824720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152824720 — identifiers, structure, computed properties (public domain)

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