N'-(2,2,6,6-tetramethylpiperidin-4-yl)-N-[2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]propyl-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine

C50H100N6O8P4 — CID 21277956

About N'-(2,2,6,6-tetramethylpiperidin-4-yl)-N-[2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]propyl-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine

N'-(2,2,6,6-tetramethylpiperidin-4-yl)-N-[2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]propyl-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine (PubChem CID 21277956) has the molecular formula C50H100N6O8P4 and a molecular weight of 1037.28 g/mol. Its IUPAC name is N'-(2,2,6,6-tetramethylpiperidin-4-yl)-N-[2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]propyl-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine.

Molecular Properties

• Compound Name: N'-(2,2,6,6-tetramethylpiperidin-4-yl)-N-[2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]propyl-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine
• PubChem CID: 21277956
• Molecular Formula: C50H100N6O8P4
• Molecular Weight: 1037.28 g/mol
• Exact Mass: 1036.66
• IUPAC Name: N'-(2,2,6,6-tetramethylpiperidin-4-yl)-N-[2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]propyl-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine
• SMILES: CC1CC(C)(C)OP(N(CCCN(C2CC(C)(C)NC(C)(C)C2)P2OC(C)CC(C)(C)O2)CCN(CCCN(C2CC(C)(C)NC(C)(C)C2)P2OC(C)CC(C)(C)O2)P2OC(C)CC(C)(C)O2)O1
• InChI: InChI=1S/C50H100N6O8P4/c1-37-29-47(13,14)61-65(57-37)53(23-21-25-55(67-59-39(3)31-49(17,18)63-67)41-33-43(5,6)51-44(7,8)34-41)27-28-54(66-58-38(2)30-48(15,16)62-66)24-22-26-56(68-60-40(4)32-50(19,20)64-68)42-35-45(9,10)52-46(11,12)36-42/h37-42,51-52H,21-36H2,1-20H3
• InChIKey: PKDHTMSRLGPYBP-UHFFFAOYSA-N
• XLogP: 12.92
• TPSA: 110.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1037.28
LogP ≤ 5	12.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-(2,2,6,6-tetramethylpiperidin-4-yl)-N-[2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]propyl-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine?

The IUPAC name of N'-(2,2,6,6-tetramethylpiperidin-4-yl)-N-[2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]propyl-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine (CID 21277956) is N'-(2,2,6,6-tetramethylpiperidin-4-yl)-N-[2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]propyl-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine.

What is the SMILES notation for N'-(2,2,6,6-tetramethylpiperidin-4-yl)-N-[2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]propyl-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine?

The canonical SMILES for N'-(2,2,6,6-tetramethylpiperidin-4-yl)-N-[2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]propyl-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine is CC1CC(C)(C)OP(N(CCCN(C2CC(C)(C)NC(C)(C)C2)P2OC(C)CC(C)(C)O2)CCN(CCCN(C2CC(C)(C)NC(C)(C)C2)P2OC(C)CC(C)(C)O2)P2OC(C)CC(C)(C)O2)O1.

What is the InChIKey of N'-(2,2,6,6-tetramethylpiperidin-4-yl)-N-[2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]propyl-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine?

The InChIKey is PKDHTMSRLGPYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H100N6O8P4/c1-37-29-47(13,14)61-65(57-37)53(23-21-25-55(67-59-39(3)31-49(17,18)63-67)41-33-43(5,6)51-44(7,8)34-41)27-28-54(66-58-38(2)30-48(15,16)62-66)24-22-26-56(68-60-40(4)32-50(19,20)64-68)42-35-45(9,10)52-46(11,12)36-42/h37-42,51-52H,21-36H2,1-20H3.

What are the key properties of N'-(2,2,6,6-tetramethylpiperidin-4-yl)-N-[2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]propyl-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine?

N'-(2,2,6,6-tetramethylpiperidin-4-yl)-N-[2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]propyl-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine has a molecular weight of 1037.28 g/mol, XLogP of 12.92, 17 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2,2,6,6-tetramethylpiperidin-4-yl)-N-[2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]propyl-(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 21277956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).