(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-(2,2,6,6-tetramethylpiperidin-4-yl)azanium

C37H75N5O6P3+ — CID 54312284

About (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-(2,2,6,6-tetramethylpiperidin-4-yl)azanium

(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-(2,2,6,6-tetramethylpiperidin-4-yl)azanium (PubChem CID 54312284) has the molecular formula C37H75N5O6P3+ and a molecular weight of 778.96 g/mol. Its IUPAC name is (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-(2,2,6,6-tetramethylpiperidin-4-yl)azanium.

Molecular Properties

• Compound Name: (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-(2,2,6,6-tetramethylpiperidin-4-yl)azanium
• PubChem CID: 54312284
• Molecular Formula: C37H75N5O6P3+
• Molecular Weight: 778.96 g/mol
• Exact Mass: 778.49
• IUPAC Name: (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-(2,2,6,6-tetramethylpiperidin-4-yl)azanium
• SMILES: CC1(C)COP(NCC[N+](CCN(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)CO2)(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)CO2)OC1
• InChI: InChI=1S/C37H75N5O6P3/c1-31(2)23-43-49(44-24-31)38-15-17-42(51-47-27-33(5,6)28-48-51,30-21-36(11,12)40-37(13,14)22-30)18-16-41(50-45-25-32(3,4)26-46-50)29-19-34(7,8)39-35(9,10)20-29/h29-30,38-40H,15-28H2,1-14H3/q+1
• InChIKey: BYYPYIMJQSTTFC-UHFFFAOYSA-N
• XLogP: 8.21
• TPSA: 94.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.96
LogP ≤ 5	8.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-(2,2,6,6-tetramethylpiperidin-4-yl)azanium?

The IUPAC name of (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-(2,2,6,6-tetramethylpiperidin-4-yl)azanium (CID 54312284) is (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-(2,2,6,6-tetramethylpiperidin-4-yl)azanium.

What is the SMILES notation for (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-(2,2,6,6-tetramethylpiperidin-4-yl)azanium?

The canonical SMILES for (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-(2,2,6,6-tetramethylpiperidin-4-yl)azanium is CC1(C)COP(NCC[N+](CCN(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)CO2)(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)CO2)OC1.

What is the InChIKey of (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-(2,2,6,6-tetramethylpiperidin-4-yl)azanium?

The InChIKey is BYYPYIMJQSTTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H75N5O6P3/c1-31(2)23-43-49(44-24-31)38-15-17-42(51-47-27-33(5,6)28-48-51,30-21-36(11,12)40-37(13,14)22-30)18-16-41(50-45-25-32(3,4)26-46-50)29-19-34(7,8)39-35(9,10)20-29/h29-30,38-40H,15-28H2,1-14H3/q+1.

What are the key properties of (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-(2,2,6,6-tetramethylpiperidin-4-yl)azanium?

(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-(2,2,6,6-tetramethylpiperidin-4-yl)azanium has a molecular weight of 778.96 g/mol, XLogP of 8.21, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-(2,2,6,6-tetramethylpiperidin-4-yl)azanium is sourced from PubChem (CID 54312284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).