2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide;hydroiodide

C19H35F3IN5O — CID 109377772

About 2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide;hydroiodide

2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide;hydroiodide (PubChem CID 109377772) has the molecular formula C19H35F3IN5O and a molecular weight of 533.42 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide;hydroiodide.

Molecular Properties

• Compound Name: 2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide;hydroiodide
• PubChem CID: 109377772
• Molecular Formula: C19H35F3IN5O
• Molecular Weight: 533.42 g/mol
• Exact Mass: 533.18
• IUPAC Name: 2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide;hydroiodide
• SMILES: CCN/C(=N\CCNC(=O)CC1CCCC1)N1CCN(C(C)C(F)(F)F)CC1.I
• InChI: InChI=1S/C19H34F3N5O.HI/c1-3-23-18(25-9-8-24-17(28)14-16-6-4-5-7-16)27-12-10-26(11-13-27)15(2)19(20,21)22;/h15-16H,3-14H2,1-2H3,(H,23,25)(H,24,28);1H
• InChIKey: YJAKHVPUHGGMDR-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 59.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.42
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide;hydroiodide?

The IUPAC name of 2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide;hydroiodide (CID 109377772) is 2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide;hydroiodide.

What is the SMILES notation for 2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide;hydroiodide?

The canonical SMILES for 2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide;hydroiodide is CCN/C(=N\CCNC(=O)CC1CCCC1)N1CCN(C(C)C(F)(F)F)CC1.I.

What is the InChIKey of 2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide;hydroiodide?

The InChIKey is YJAKHVPUHGGMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F3N5O.HI/c1-3-23-18(25-9-8-24-17(28)14-16-6-4-5-7-16)27-12-10-26(11-13-27)15(2)19(20,21)22;/h15-16H,3-14H2,1-2H3,(H,23,25)(H,24,28);1H.

What are the key properties of 2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide;hydroiodide?

2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide;hydroiodide has a molecular weight of 533.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-N-[2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]ethyl]acetamide;hydroiodide is sourced from PubChem (CID 109377772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).