2-methoxy-2-methyloct-6-yn-4-amine

C₁₀H₁₉NO — CID 103024984

About 2-methoxy-2-methyloct-6-yn-4-amine

2-methoxy-2-methyloct-6-yn-4-amine (PubChem CID 103024984) has the molecular formula C₁₀H₁₉NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methoxy-2-methyloct-6-yn-4-amine.

Molecular Properties

• Compound Name: 2-methoxy-2-methyloct-6-yn-4-amine
• PubChem CID: 103024984
• Molecular Formula: C₁₀H₁₉NO
• Molecular Weight: 169.27 g/mol
• Exact Mass: 169.15
• IUPAC Name: 2-methoxy-2-methyloct-6-yn-4-amine
• SMILES: CC#CCC(N)CC(C)(C)OC
• InChI: InChI=1S/C10H19NO/c1-5-6-7-9(11)8-10(2,3)12-4/h9H,7-8,11H2,1-4H3
• InChIKey: DIDLKYYVFYWFNZ-UHFFFAOYSA-N
• XLogP: 1.54
• TPSA: 35.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	169.27
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyloct-6-yn-4-amine?

The IUPAC name of 2-methoxy-2-methyloct-6-yn-4-amine (CID 103024984) is 2-methoxy-2-methyloct-6-yn-4-amine.

What is the SMILES notation for 2-methoxy-2-methyloct-6-yn-4-amine?

The canonical SMILES for 2-methoxy-2-methyloct-6-yn-4-amine is CC#CCC(N)CC(C)(C)OC.

What is the InChIKey of 2-methoxy-2-methyloct-6-yn-4-amine?

The InChIKey is DIDLKYYVFYWFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-6-7-9(11)8-10(2,3)12-4/h9H,7-8,11H2,1-4H3.

What are the key properties of 2-methoxy-2-methyloct-6-yn-4-amine?

2-methoxy-2-methyloct-6-yn-4-amine has a molecular weight of 169.27 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-2-methyloct-6-yn-4-amine is sourced from PubChem (CID 103024984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103024984 — identifiers, structure, computed properties (public domain)

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