2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine

C₁₂H₂₃NO₂ — CID 156531506

About 2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine

2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine (PubChem CID 156531506) has the molecular formula C₁₂H₂₃NO₂ and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine.

Molecular Properties

• Compound Name: 2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine
• PubChem CID: 156531506
• Molecular Formula: C₁₂H₂₃NO₂
• Molecular Weight: 213.32 g/mol
• Exact Mass: 213.17
• IUPAC Name: 2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine
• SMILES: NCCOCCOC1/C=C\CCCCC1
• InChI: InChI=1S/C12H23NO2/c13-8-9-14-10-11-15-12-6-4-2-1-3-5-7-12/h4,6,12H,1-3,5,7-11,13H2/b6-4-
• InChIKey: KDQGXDOQINQEDB-XQRVVYSFSA-N
• XLogP: 1.87
• TPSA: 44.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	213.32
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine?

The IUPAC name of 2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine (CID 156531506) is 2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine.

What is the SMILES notation for 2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine?

The canonical SMILES for 2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine is NCCOCCOC1/C=C\CCCCC1.

What is the InChIKey of 2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine?

The InChIKey is KDQGXDOQINQEDB-XQRVVYSFSA-N. The full InChI is InChI=1S/C12H23NO2/c13-8-9-14-10-11-15-12-6-4-2-1-3-5-7-12/h4,6,12H,1-3,5,7-11,13H2/b6-4-.

What are the key properties of 2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine?

2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine has a molecular weight of 213.32 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine is sourced from PubChem (CID 156531506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156531506 — identifiers, structure, computed properties (public domain)

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