N-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine

C₁₁H₂₀F₃NO — CID 64505218

About N-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine

N-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine (PubChem CID 64505218) has the molecular formula C₁₁H₂₀F₃NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine.

Molecular Properties

• Compound Name: N-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
• PubChem CID: 64505218
• Molecular Formula: C₁₁H₂₀F₃NO
• Molecular Weight: 239.28 g/mol
• Exact Mass: 239.15
• IUPAC Name: N-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
• SMILES: CNC1CCC(CCCOCC(F)(F)F)C1
• InChI: InChI=1S/C11H20F3NO/c1-15-10-5-4-9(7-10)3-2-6-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3
• InChIKey: BVZPACZOAYRAOZ-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	239.28
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine?

The IUPAC name of N-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine (CID 64505218) is N-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine.

What is the SMILES notation for N-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine?

The canonical SMILES for N-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine is CNC1CCC(CCCOCC(F)(F)F)C1.

What is the InChIKey of N-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine?

The InChIKey is BVZPACZOAYRAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-15-10-5-4-9(7-10)3-2-6-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3.

What are the key properties of N-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine?

N-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine is sourced from PubChem (CID 64505218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 64505218 — identifiers, structure, computed properties (public domain)

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