2-[(6Z)-cyclotridec-6-en-1-yl]ethanimine

C₁₅H₂₇N — CID 134257788

About 2-[(6Z)-cyclotridec-6-en-1-yl]ethanimine

2-[(6Z)-cyclotridec-6-en-1-yl]ethanimine (PubChem CID 134257788) has the molecular formula C₁₅H₂₇N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2-[(6Z)-cyclotridec-6-en-1-yl]ethanimine.

Molecular Properties

• Compound Name: 2-[(6Z)-cyclotridec-6-en-1-yl]ethanimine
• PubChem CID: 134257788
• Molecular Formula: C₁₅H₂₇N
• Molecular Weight: 221.39 g/mol
• Exact Mass: 221.21
• IUPAC Name: 2-[(6Z)-cyclotridec-6-en-1-yl]ethanimine
• SMILES: [H]/N=C/CC1CCCC/C=C\CCCCCC1
• InChI: InChI=1S/C15H27N/c16-14-13-15-11-9-7-5-3-1-2-4-6-8-10-12-15/h1,3,14-16H,2,4-13H2/b3-1-,16-14+
• InChIKey: JSYLYSTUIDFIAQ-ZHUICSNQSA-N
• XLogP: 5.11
• TPSA: 23.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	221.39
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(6Z)-cyclotridec-6-en-1-yl]ethanimine?

The IUPAC name of 2-[(6Z)-cyclotridec-6-en-1-yl]ethanimine (CID 134257788) is 2-[(6Z)-cyclotridec-6-en-1-yl]ethanimine.

What is the SMILES notation for 2-[(6Z)-cyclotridec-6-en-1-yl]ethanimine?

The canonical SMILES for 2-[(6Z)-cyclotridec-6-en-1-yl]ethanimine is [H]/N=C/CC1CCCC/C=C\CCCCCC1.

What is the InChIKey of 2-[(6Z)-cyclotridec-6-en-1-yl]ethanimine?

The InChIKey is JSYLYSTUIDFIAQ-ZHUICSNQSA-N. The full InChI is InChI=1S/C15H27N/c16-14-13-15-11-9-7-5-3-1-2-4-6-8-10-12-15/h1,3,14-16H,2,4-13H2/b3-1-,16-14+.

What are the key properties of 2-[(6Z)-cyclotridec-6-en-1-yl]ethanimine?

2-[(6Z)-cyclotridec-6-en-1-yl]ethanimine has a molecular weight of 221.39 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6Z)-cyclotridec-6-en-1-yl]ethanimine is sourced from PubChem (CID 134257788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134257788 — identifiers, structure, computed properties (public domain)

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