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

C37H74N5O6P3 — CID 54048369

IUPACN,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N'-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine
SMILESCC1(C)COP(NCCN(CC(C2CC(C)(C)NC(C)(C)C2)N(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)CO2)P2OCC(C)(C)CO2)OC1
InChIInChI=1S/C37H74N5O6P3/c1-31(2)22-43-49(44-23-31)38-15-16-41(50-45-24-32(3,4)25-46-50)21-30(28-17-34(7,8)39-35(9,10)18-28)42(51-47-26-33(5,6)27-48-51)29-19-36(11,12)40-37(13,14)20-29/h28-30,38-40H,15-27H2,1-14H3
InChIKeyLRDPXJIBOZTTPY-UHFFFAOYSA-N
MW777.95 g/mol
LogP8.31
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)amino]ethyl]-N,1-bis(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)amino]ethyl]-N,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine (PubChem CID 54048369) 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)amino]ethyl]-N,1-bis(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)amino]ethyl]-N,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine
PubChem CID54048369
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)amino]ethyl]-N,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine
SMILESCC1(C)COP(NCCN(CC(C2CC(C)(C)NC(C)(C)C2)N(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)CO2)P2OCC(C)(C)CO2)OC1
InChIInChI=1S/C37H74N5O6P3/c1-31(2)22-43-49(44-23-31)38-15-16-41(50-45-24-32(3,4)25-46-50)21-30(28-17-34(7,8)39-35(9,10)18-28)42(51-47-26-33(5,6)27-48-51)29-19-36(11,12)40-37(13,14)20-29/h28-30,38-40H,15-27H2,1-14H3
InChIKeyLRDPXJIBOZTTPY-UHFFFAOYSA-N
XLogP8.31
TPSA97.95 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500777.95
LogP ≤ 58.31
H-Bond Donors ≤ 53
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)amino]ethyl]-N,1-bis(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)amino]ethyl]-N,1-bis(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)amino]ethyl]-N,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine (CID 54048369) is N,N'-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-N'-[2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)amino]ethyl]-N,1-bis(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)amino]ethyl]-N,1-bis(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)amino]ethyl]-N,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine is CC1(C)COP(NCCN(CC(C2CC(C)(C)NC(C)(C)C2)N(C2CC(C)(C)NC(C)(C)C2)P2OCC(C)(C)CO2)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)amino]ethyl]-N,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine?
The InChIKey is LRDPXJIBOZTTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H74N5O6P3/c1-31(2)22-43-49(44-23-31)38-15-16-41(50-45-24-32(3,4)25-46-50)21-30(28-17-34(7,8)39-35(9,10)18-28)42(51-47-26-33(5,6)27-48-51)29-19-36(11,12)40-37(13,14)20-29/h28-30,38-40H,15-27H2,1-14H3.
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)amino]ethyl]-N,1-bis(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)amino]ethyl]-N,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine has a molecular weight of 777.95 g/mol, XLogP of 8.31, 11 rotatable bonds, 3 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)amino]ethyl]-N,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 54048369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).