2-[[4-(cyclohexylamino)-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethoxy)amino]oxyethanol

C26H49N7O5 — CID 88526691

About 2-[[4-(cyclohexylamino)-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethoxy)amino]oxyethanol

2-[[4-(cyclohexylamino)-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethoxy)amino]oxyethanol (PubChem CID 88526691) has the molecular formula C26H49N7O5 and a molecular weight of 539.72 g/mol. Its IUPAC name is 2-[[4-(cyclohexylamino)-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethoxy)amino]oxyethanol.

Molecular Properties

• Compound Name: 2-[[4-(cyclohexylamino)-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethoxy)amino]oxyethanol
• PubChem CID: 88526691
• Molecular Formula: C26H49N7O5
• Molecular Weight: 539.72 g/mol
• Exact Mass: 539.38
• IUPAC Name: 2-[[4-(cyclohexylamino)-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethoxy)amino]oxyethanol
• SMILES: COCCCN(c1nc(NC2CCCCC2)nc(N(OCCO)OCCO)n1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C26H49N7O5/c1-25(2)18-21(19-26(3,4)31-25)32(12-9-15-36-5)23-28-22(27-20-10-7-6-8-11-20)29-24(30-23)33(37-16-13-34)38-17-14-35/h20-21,31,34-35H,6-19H2,1-5H3,(H,27,28,29,30)
• InChIKey: LUGQWONUPJDRKL-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 137.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.72
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclohexylamino)-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethoxy)amino]oxyethanol?

The IUPAC name of 2-[[4-(cyclohexylamino)-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethoxy)amino]oxyethanol (CID 88526691) is 2-[[4-(cyclohexylamino)-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethoxy)amino]oxyethanol.

What is the SMILES notation for 2-[[4-(cyclohexylamino)-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethoxy)amino]oxyethanol?

The canonical SMILES for 2-[[4-(cyclohexylamino)-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethoxy)amino]oxyethanol is COCCCN(c1nc(NC2CCCCC2)nc(N(OCCO)OCCO)n1)C1CC(C)(C)NC(C)(C)C1.

What is the InChIKey of 2-[[4-(cyclohexylamino)-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethoxy)amino]oxyethanol?

The InChIKey is LUGQWONUPJDRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49N7O5/c1-25(2)18-21(19-26(3,4)31-25)32(12-9-15-36-5)23-28-22(27-20-10-7-6-8-11-20)29-24(30-23)33(37-16-13-34)38-17-14-35/h20-21,31,34-35H,6-19H2,1-5H3,(H,27,28,29,30).

What are the key properties of 2-[[4-(cyclohexylamino)-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethoxy)amino]oxyethanol?

2-[[4-(cyclohexylamino)-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethoxy)amino]oxyethanol has a molecular weight of 539.72 g/mol, XLogP of 2.42, 15 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(cyclohexylamino)-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethoxy)amino]oxyethanol is sourced from PubChem (CID 88526691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).