(3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine

C₁₀H₁₇NO — CID 135127542

About (3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine

(3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine (PubChem CID 135127542) has the molecular formula C₁₀H₁₇NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine.

Molecular Properties

• Compound Name: (3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine
• PubChem CID: 135127542
• Molecular Formula: C₁₀H₁₇NO
• Molecular Weight: 167.25 g/mol
• Exact Mass: 167.13
• IUPAC Name: (3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine
• SMILES: C=C/C=C/C[C@H]1CC[C@@H](N)CO1
• InChI: InChI=1S/C10H17NO/c1-2-3-4-5-10-7-6-9(11)8-12-10/h2-4,9-10H,1,5-8,11H2/b4-3+/t9-,10+/m1/s1
• InChIKey: DHNZCFCAEBJYJN-OKWQPMOJSA-N
• XLogP: 1.62
• TPSA: 35.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	167.25
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine?

The IUPAC name of (3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine (CID 135127542) is (3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine.

What is the SMILES notation for (3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine?

The canonical SMILES for (3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine is C=C/C=C/C[C@H]1CC[C@@H](N)CO1.

What is the InChIKey of (3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine?

The InChIKey is DHNZCFCAEBJYJN-OKWQPMOJSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-4-5-10-7-6-9(11)8-12-10/h2-4,9-10H,1,5-8,11H2/b4-3+/t9-,10+/m1/s1.

What are the key properties of (3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine?

(3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine has a molecular weight of 167.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine is sourced from PubChem (CID 135127542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135127542 — identifiers, structure, computed properties (public domain)

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