[(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine

C₁₆H₂₉N — CID 166890494

About [(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine

[(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine (PubChem CID 166890494) has the molecular formula C₁₆H₂₉N and a molecular weight of 235.41 g/mol. Its IUPAC name is [(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine.

Molecular Properties

• Compound Name: [(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine
• PubChem CID: 166890494
• Molecular Formula: C₁₆H₂₉N
• Molecular Weight: 235.41 g/mol
• Exact Mass: 235.23
• IUPAC Name: [(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine
• SMILES: NCC1/C=C\CCCC2CC2CCCCCC1
• InChI: InChI=1S/C16H29N/c17-13-14-8-4-1-2-6-10-15-12-16(15)11-7-3-5-9-14/h5,9,14-16H,1-4,6-8,10-13,17H2/b9-5-
• InChIKey: ROYJXWMMTDNAFE-UITAMQMPSA-N
• XLogP: 4.28
• TPSA: 26.02 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	235.41
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine?

The IUPAC name of [(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine (CID 166890494) is [(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine.

What is the SMILES notation for [(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine?

The canonical SMILES for [(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine is NCC1/C=C\CCCC2CC2CCCCCC1.

What is the InChIKey of [(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine?

The InChIKey is ROYJXWMMTDNAFE-UITAMQMPSA-N. The full InChI is InChI=1S/C16H29N/c17-13-14-8-4-1-2-6-10-15-12-16(15)11-7-3-5-9-14/h5,9,14-16H,1-4,6-8,10-13,17H2/b9-5-.

What are the key properties of [(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine?

[(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine has a molecular weight of 235.41 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine is sourced from PubChem (CID 166890494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166890494 — identifiers, structure, computed properties (public domain)

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