4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine

C₁₄H₂₃NO — CID 123815021

About 4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine

4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine (PubChem CID 123815021) has the molecular formula C₁₄H₂₃NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine.

Molecular Properties

• Compound Name: 4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine
• PubChem CID: 123815021
• Molecular Formula: C₁₄H₂₃NO
• Molecular Weight: 221.34 g/mol
• Exact Mass: 221.18
• IUPAC Name: 4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine
• SMILES: C=CCCC(CCCN)C1=CCC=C(C)O1
• InChI: InChI=1S/C14H23NO/c1-3-4-8-13(9-6-11-15)14-10-5-7-12(2)16-14/h3,7,10,13H,1,4-6,8-9,11,15H2,2H3
• InChIKey: QEMDEYWWGQSHGT-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 35.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	221.34
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine?

The IUPAC name of 4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine (CID 123815021) is 4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine.

What is the SMILES notation for 4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine?

The canonical SMILES for 4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine is C=CCCC(CCCN)C1=CCC=C(C)O1.

What is the InChIKey of 4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine?

The InChIKey is QEMDEYWWGQSHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-4-8-13(9-6-11-15)14-10-5-7-12(2)16-14/h3,7,10,13H,1,4-6,8-9,11,15H2,2H3.

What are the key properties of 4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine?

4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine is sourced from PubChem (CID 123815021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123815021 — identifiers, structure, computed properties (public domain)

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