2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide

C19H37F3IN5O2 — CID 111671061

About 2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide

2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide (PubChem CID 111671061) has the molecular formula C19H37F3IN5O2 and a molecular weight of 551.44 g/mol. Its IUPAC name is 2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide.

Molecular Properties

• Compound Name: 2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
• PubChem CID: 111671061
• Molecular Formula: C19H37F3IN5O2
• Molecular Weight: 551.44 g/mol
• Exact Mass: 551.19
• IUPAC Name: 2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
• SMILES: CCN/C(=N\CC(=O)N(C)CC(F)(F)F)NCC(C(CC)CC)N1CCOCC1.I
• InChI: InChI=1S/C19H36F3N5O2.HI/c1-5-15(6-2)16(27-8-10-29-11-9-27)12-24-18(23-7-3)25-13-17(28)26(4)14-19(20,21)22;/h15-16H,5-14H2,1-4H3,(H2,23,24,25);1H
• InChIKey: LGBLNQWLHRNUEW-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 69.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.44
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'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-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide?

The IUPAC name of 2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide (CID 111671061) is 2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide.

What is the SMILES notation for 2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide?

The canonical SMILES for 2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide is CCN/C(=N\CC(=O)N(C)CC(F)(F)F)NCC(C(CC)CC)N1CCOCC1.I.

What is the InChIKey of 2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide?

The InChIKey is LGBLNQWLHRNUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36F3N5O2.HI/c1-5-15(6-2)16(27-8-10-29-11-9-27)12-24-18(23-7-3)25-13-17(28)26(4)14-19(20,21)22;/h15-16H,5-14H2,1-4H3,(H2,23,24,25);1H.

What are the key properties of 2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide?

2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide has a molecular weight of 551.44 g/mol, XLogP of 2.32, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide is sourced from PubChem (CID 111671061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).