3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine

C₁₂H₂₀F₃N — CID 155730429

About 3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine

3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine (PubChem CID 155730429) has the molecular formula C₁₂H₂₀F₃N and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine.

Molecular Properties

• Compound Name: 3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine
• PubChem CID: 155730429
• Molecular Formula: C₁₂H₂₀F₃N
• Molecular Weight: 235.29 g/mol
• Exact Mass: 235.15
• IUPAC Name: 3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine
• SMILES: C=C(NCC(F)(F)F)C(C1CC1)C(C)(C)C
• InChI: InChI=1S/C12H20F3N/c1-8(16-7-12(13,14)15)10(9-5-6-9)11(2,3)4/h9-10,16H,1,5-7H2,2-4H3
• InChIKey: SYYDFSIAXIYSDW-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	235.29
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine?

The IUPAC name of 3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine (CID 155730429) is 3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine.

What is the SMILES notation for 3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine?

The canonical SMILES for 3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine is C=C(NCC(F)(F)F)C(C1CC1)C(C)(C)C.

What is the InChIKey of 3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine?

The InChIKey is SYYDFSIAXIYSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c1-8(16-7-12(13,14)15)10(9-5-6-9)11(2,3)4/h9-10,16H,1,5-7H2,2-4H3.

What are the key properties of 3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine?

3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine has a molecular weight of 235.29 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-1-en-2-amine is sourced from PubChem (CID 155730429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155730429 — identifiers, structure, computed properties (public domain)

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