N-(2-methylhex-5-yn-3-yl)acetamide

C₉H₁₅NO — CID 130015615

About N-(2-methylhex-5-yn-3-yl)acetamide

N-(2-methylhex-5-yn-3-yl)acetamide (PubChem CID 130015615) has the molecular formula C₉H₁₅NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-(2-methylhex-5-yn-3-yl)acetamide.

Molecular Properties

• Compound Name: N-(2-methylhex-5-yn-3-yl)acetamide
• PubChem CID: 130015615
• Molecular Formula: C₉H₁₅NO
• Molecular Weight: 153.22 g/mol
• Exact Mass: 153.12
• IUPAC Name: N-(2-methylhex-5-yn-3-yl)acetamide
• SMILES: C#CCC(NC(C)=O)C(C)C
• InChI: InChI=1S/C9H15NO/c1-5-6-9(7(2)3)10-8(4)11/h1,7,9H,6H2,2-4H3,(H,10,11)
• InChIKey: BNJZWTJHSTZHBV-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	153.22
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-methylhex-5-yn-3-yl)acetamide?

The IUPAC name of N-(2-methylhex-5-yn-3-yl)acetamide (CID 130015615) is N-(2-methylhex-5-yn-3-yl)acetamide.

What is the SMILES notation for N-(2-methylhex-5-yn-3-yl)acetamide?

The canonical SMILES for N-(2-methylhex-5-yn-3-yl)acetamide is C#CCC(NC(C)=O)C(C)C.

What is the InChIKey of N-(2-methylhex-5-yn-3-yl)acetamide?

The InChIKey is BNJZWTJHSTZHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-6-9(7(2)3)10-8(4)11/h1,7,9H,6H2,2-4H3,(H,10,11).

What are the key properties of N-(2-methylhex-5-yn-3-yl)acetamide?

N-(2-methylhex-5-yn-3-yl)acetamide has a molecular weight of 153.22 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylhex-5-yn-3-yl)acetamide is sourced from PubChem (CID 130015615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130015615 — identifiers, structure, computed properties (public domain)

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