1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane

C₁₅H₃₃N₂+ — CID 123632627

About 1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane

1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane (PubChem CID 123632627) has the molecular formula C₁₅H₃₃N₂+ and a molecular weight of 241.44 g/mol. Its IUPAC name is 1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane.

Molecular Properties

• Compound Name: 1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane
• PubChem CID: 123632627
• Molecular Formula: C₁₅H₃₃N₂+
• Molecular Weight: 241.44 g/mol
• Exact Mass: 241.26
• IUPAC Name: 1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane
• SMILES: CC[N+]1(C)CCCCCCCNCCCCC1
• InChI: InChI=1S/C15H33N2/c1-3-17(2)14-10-6-4-5-8-12-16-13-9-7-11-15-17/h16H,3-15H2,1-2H3/q+1
• InChIKey: XXLUUVIUTSFEIK-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	241.44
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane?

The IUPAC name of 1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane (CID 123632627) is 1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane.

What is the SMILES notation for 1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane?

The canonical SMILES for 1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane is CC[N+]1(C)CCCCCCCNCCCCC1.

What is the InChIKey of 1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane?

The InChIKey is XXLUUVIUTSFEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N2/c1-3-17(2)14-10-6-4-5-8-12-16-13-9-7-11-15-17/h16H,3-15H2,1-2H3/q+1.

What are the key properties of 1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane?

1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane has a molecular weight of 241.44 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane is sourced from PubChem (CID 123632627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123632627 — identifiers, structure, computed properties (public domain)

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