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

C37H74N5O6P3 — CID 88626597

IUPACN,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine
SMILESCC1(C)COP(N(CCN(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)CO2)CCN(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)CO2)OC1
InChIInChI=1S/C37H74N5O6P3/c1-31(2)23-43-49(44-24-31)40(15-17-41(50-45-25-32(3,4)26-46-50)29-19-34(7,8)38-35(9,10)20-29)16-18-42(51-47-27-33(5,6)28-48-51)30-21-36(11,12)39-37(13,14)22-30/h29-30,38-39H,15-28H2,1-14H3
InChIKeyAHZRHCXSWMWASB-UHFFFAOYSA-N
MW777.95 g/mol
LogP8.41
Rot. Bonds11

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

N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine (PubChem CID 88626597) has the molecular formula C37H74N5O6P3 and a molecular weight of 777.95 g/mol. Its IUPAC name is N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine
PubChem CID88626597
Molecular FormulaC37H74N5O6P3
Molecular Weight777.95 g/mol
Exact Mass777.49
IUPAC NameN,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine
SMILESCC1(C)COP(N(CCN(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)CO2)CCN(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)CO2)OC1
InChIInChI=1S/C37H74N5O6P3/c1-31(2)23-43-49(44-24-31)40(15-17-41(50-45-25-32(3,4)26-46-50)29-19-34(7,8)38-35(9,10)20-29)16-18-42(51-47-27-33(5,6)28-48-51)30-21-36(11,12)39-37(13,14)22-30/h29-30,38-39H,15-28H2,1-14H3
InChIKeyAHZRHCXSWMWASB-UHFFFAOYSA-N
XLogP8.41
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500777.95
LogP ≤ 58.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine (CID 88626597) is N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine is CC1(C)COP(N(CCN(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)CO2)CCN(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)CO2)OC1.
What is the InChIKey of N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine?
The InChIKey is AHZRHCXSWMWASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H74N5O6P3/c1-31(2)23-43-49(44-24-31)40(15-17-41(50-45-25-32(3,4)26-46-50)29-19-34(7,8)38-35(9,10)20-29)16-18-42(51-47-27-33(5,6)28-48-51)30-21-36(11,12)39-37(13,14)22-30/h29-30,38-39H,15-28H2,1-14H3.
What are the key properties of N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine?
N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine has a molecular weight of 777.95 g/mol, XLogP of 8.41, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 88626597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).