Azane;tris(pentan-1-ol)

C₁₅H₃₉NO₃ — CID 175785399

About Azane;tris(pentan-1-ol)

Azane;tris(pentan-1-ol) (PubChem CID 175785399) has the molecular formula C₁₅H₃₉NO₃ and a molecular weight of 281.48 g/mol. Its IUPAC name is azane;tris(pentan-1-ol).

Molecular Properties

• Compound Name: Azane;tris(pentan-1-ol)
• PubChem CID: 175785399
• Molecular Formula: C₁₅H₃₉NO₃
• Molecular Weight: 281.48 g/mol
• Exact Mass: 281.29
• IUPAC Name: azane;tris(pentan-1-ol)
• SMILES: CCCCCO.CCCCCO.CCCCCO.N
• InChI: InChI=1S/3C5H12O.H3N/c3*1-2-3-4-5-6;/h3*6H,2-5H2,1H3;1H3
• InChIKey: YKZBZSZHMPGDCO-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 95.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	281.48
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Azane;tris(pentan-1-ol)?

The IUPAC name of Azane;tris(pentan-1-ol) (CID 175785399) is azane;tris(pentan-1-ol).

What is the SMILES notation for Azane;tris(pentan-1-ol)?

The canonical SMILES for Azane;tris(pentan-1-ol) is CCCCCO.CCCCCO.CCCCCO.N.

What is the InChIKey of Azane;tris(pentan-1-ol)?

The InChIKey is YKZBZSZHMPGDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H12O.H3N/c3*1-2-3-4-5-6;/h3*6H,2-5H2,1H3;1H3.

What are the key properties of Azane;tris(pentan-1-ol)?

Azane;tris(pentan-1-ol) has a molecular weight of 281.48 g/mol, XLogP of 3.67, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Azane;tris(pentan-1-ol) is sourced from PubChem (CID 175785399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175785399 — identifiers, structure, computed properties (public domain)

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