6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine

C₁₀H₂₃NO₂S — CID 177359477

About 6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine

6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine (PubChem CID 177359477) has the molecular formula C₁₀H₂₃NO₂S and a molecular weight of 221.37 g/mol. Its IUPAC name is 6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine.

Molecular Properties

• Compound Name: 6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine
• PubChem CID: 177359477
• Molecular Formula: C₁₀H₂₃NO₂S
• Molecular Weight: 221.37 g/mol
• Exact Mass: 221.14
• IUPAC Name: 6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine
• SMILES: COCCCCCCNCCOSC
• InChI: InChI=1S/C10H23NO2S/c1-12-9-6-4-3-5-7-11-8-10-13-14-2/h11H,3-10H2,1-2H3
• InChIKey: AHDIRDPATICWLB-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 30.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	221.37
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine?

The IUPAC name of 6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine (CID 177359477) is 6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine.

What is the SMILES notation for 6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine?

The canonical SMILES for 6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine is COCCCCCCNCCOSC.

What is the InChIKey of 6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine?

The InChIKey is AHDIRDPATICWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-12-9-6-4-3-5-7-11-8-10-13-14-2/h11H,3-10H2,1-2H3.

What are the key properties of 6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine?

6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 2.08, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine is sourced from PubChem (CID 177359477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177359477 — identifiers, structure, computed properties (public domain)

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