N'-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-N-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)ethane-1,2-diamine

C43H86N5O6P3 — CID 88670967

About N'-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-N-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)ethane-1,2-diamine

N'-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-N-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)ethane-1,2-diamine (PubChem CID 88670967) has the molecular formula C43H86N5O6P3 and a molecular weight of 862.11 g/mol. Its IUPAC name is N'-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-N-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)ethane-1,2-diamine.

Molecular Properties

• Compound Name: N'-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-N-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)ethane-1,2-diamine
• PubChem CID: 88670967
• Molecular Formula: C43H86N5O6P3
• Molecular Weight: 862.11 g/mol
• Exact Mass: 861.58
• IUPAC Name: N'-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-N-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)ethane-1,2-diamine
• SMILES: CCC1(C)CC(N(CCN(CCN(C2CC(C)(CC)NC(C)(CC)C2C)P2OCC(C)(C)CO2)P2OCC(C)(C)CO2)P2OCC(C)(C)CO2)C(C)C(C)(CC)N1
• InChI: InChI=1S/C43H86N5O6P3/c1-17-40(13)25-35(33(5)42(15,19-3)44-40)47(56-51-29-38(9,10)30-52-56)23-21-46(55-49-27-37(7,8)28-50-55)22-24-48(57-53-31-39(11,12)32-54-57)36-26-41(14,18-2)45-43(16,20-4)34(36)6/h33-36,44-45H,17-32H2,1-16H3
• InChIKey: ZYNWPILXHYFOGH-UHFFFAOYSA-N
• XLogP: 10.46
• TPSA: 89.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	862.11
LogP ≤ 5	10.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-N-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)ethane-1,2-diamine?

The IUPAC name of N'-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-N-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)ethane-1,2-diamine (CID 88670967) is N'-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-N-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)ethane-1,2-diamine.

What is the SMILES notation for N'-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-N-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)ethane-1,2-diamine?

The canonical SMILES for N'-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-N-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)ethane-1,2-diamine is CCC1(C)CC(N(CCN(CCN(C2CC(C)(CC)NC(C)(CC)C2C)P2OCC(C)(C)CO2)P2OCC(C)(C)CO2)P2OCC(C)(C)CO2)C(C)C(C)(CC)N1.

What is the InChIKey of N'-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-N-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)ethane-1,2-diamine?

The InChIKey is ZYNWPILXHYFOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H86N5O6P3/c1-17-40(13)25-35(33(5)42(15,19-3)44-40)47(56-51-29-38(9,10)30-52-56)23-21-46(55-49-27-37(7,8)28-50-55)22-24-48(57-53-31-39(11,12)32-54-57)36-26-41(14,18-2)45-43(16,20-4)34(36)6/h33-36,44-45H,17-32H2,1-16H3.

What are the key properties of N'-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-N-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)ethane-1,2-diamine?

N'-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-N-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)ethane-1,2-diamine has a molecular weight of 862.11 g/mol, XLogP of 10.46, 15 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-N-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 88670967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).