2,2,6,6-tetramethyl-N-[5-methyl-5-[[5-methyl-2-[2-methylpropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-1,3,2-dioxaphosphinan-2-yl]-N-(2-methylpropyl)piperidin-4-amine

C36H72N4O5P2 — CID 21277938

IUPAC2,2,6,6-tetramethyl-N-[5-methyl-5-[[5-methyl-2-[2-methylpropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-1,3,2-dioxaphosphinan-2-yl]-N-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN(C1CC(C)(C)NC(C)(C)C1)P1OCC(C)(COCC2(C)COP(N(CC(C)C)C3CC(C)(C)NC(C)(C)C3)OC2)CO1
InChIInChI=1S/C36H72N4O5P2/c1-27(2)19-39(29-15-31(5,6)37-32(7,8)16-29)46-42-23-35(13,24-43-46)21-41-22-36(14)25-44-47(45-26-36)40(20-28(3)4)30-17-33(9,10)38-34(11,12)18-30/h27-30,37-38H,15-26H2,1-14H3
InChIKeyCXCLKSRCWYSDKH-UHFFFAOYSA-N
MW702.94 g/mol
LogP8.10
Rot. Bonds12

About 2,2,6,6-tetramethyl-N-[5-methyl-5-[[5-methyl-2-[2-methylpropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-1,3,2-dioxaphosphinan-2-yl]-N-(2-methylpropyl)piperidin-4-amine

2,2,6,6-tetramethyl-N-[5-methyl-5-[[5-methyl-2-[2-methylpropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-1,3,2-dioxaphosphinan-2-yl]-N-(2-methylpropyl)piperidin-4-amine (PubChem CID 21277938) has the molecular formula C36H72N4O5P2 and a molecular weight of 702.94 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N-[5-methyl-5-[[5-methyl-2-[2-methylpropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-1,3,2-dioxaphosphinan-2-yl]-N-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N-[5-methyl-5-[[5-methyl-2-[2-methylpropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-1,3,2-dioxaphosphinan-2-yl]-N-(2-methylpropyl)piperidin-4-amine
PubChem CID21277938
Molecular FormulaC36H72N4O5P2
Molecular Weight702.94 g/mol
Exact Mass702.50
IUPAC Name2,2,6,6-tetramethyl-N-[5-methyl-5-[[5-methyl-2-[2-methylpropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-1,3,2-dioxaphosphinan-2-yl]-N-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN(C1CC(C)(C)NC(C)(C)C1)P1OCC(C)(COCC2(C)COP(N(CC(C)C)C3CC(C)(C)NC(C)(C)C3)OC2)CO1
InChIInChI=1S/C36H72N4O5P2/c1-27(2)19-39(29-15-31(5,6)37-32(7,8)16-29)46-42-23-35(13,24-43-46)21-41-22-36(14)25-44-47(45-26-36)40(20-28(3)4)30-17-33(9,10)38-34(11,12)18-30/h27-30,37-38H,15-26H2,1-14H3
InChIKeyCXCLKSRCWYSDKH-UHFFFAOYSA-N
XLogP8.10
TPSA76.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.94
LogP ≤ 58.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2,2,6,6-tetramethyl-N-[5-methyl-5-[[5-methyl-2-[2-methylpropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-1,3,2-dioxaphosphinan-2-yl]-N-(2-methylpropyl)piperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-N-[5-methyl-5-[[5-methyl-2-[2-methylpropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-1,3,2-dioxaphosphinan-2-yl]-N-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of 2,2,6,6-tetramethyl-N-[5-methyl-5-[[5-methyl-2-[2-methylpropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-1,3,2-dioxaphosphinan-2-yl]-N-(2-methylpropyl)piperidin-4-amine (CID 21277938) is 2,2,6,6-tetramethyl-N-[5-methyl-5-[[5-methyl-2-[2-methylpropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-1,3,2-dioxaphosphinan-2-yl]-N-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for 2,2,6,6-tetramethyl-N-[5-methyl-5-[[5-methyl-2-[2-methylpropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-1,3,2-dioxaphosphinan-2-yl]-N-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for 2,2,6,6-tetramethyl-N-[5-methyl-5-[[5-methyl-2-[2-methylpropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-1,3,2-dioxaphosphinan-2-yl]-N-(2-methylpropyl)piperidin-4-amine is CC(C)CN(C1CC(C)(C)NC(C)(C)C1)P1OCC(C)(COCC2(C)COP(N(CC(C)C)C3CC(C)(C)NC(C)(C)C3)OC2)CO1.
What is the InChIKey of 2,2,6,6-tetramethyl-N-[5-methyl-5-[[5-methyl-2-[2-methylpropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-1,3,2-dioxaphosphinan-2-yl]-N-(2-methylpropyl)piperidin-4-amine?
The InChIKey is CXCLKSRCWYSDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H72N4O5P2/c1-27(2)19-39(29-15-31(5,6)37-32(7,8)16-29)46-42-23-35(13,24-43-46)21-41-22-36(14)25-44-47(45-26-36)40(20-28(3)4)30-17-33(9,10)38-34(11,12)18-30/h27-30,37-38H,15-26H2,1-14H3.
What are the key properties of 2,2,6,6-tetramethyl-N-[5-methyl-5-[[5-methyl-2-[2-methylpropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-1,3,2-dioxaphosphinan-2-yl]-N-(2-methylpropyl)piperidin-4-amine?
2,2,6,6-tetramethyl-N-[5-methyl-5-[[5-methyl-2-[2-methylpropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-1,3,2-dioxaphosphinan-2-yl]-N-(2-methylpropyl)piperidin-4-amine has a molecular weight of 702.94 g/mol, XLogP of 8.10, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-N-[5-methyl-5-[[5-methyl-2-[2-methylpropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,2-dioxaphosphinan-5-yl]methoxymethyl]-1,3,2-dioxaphosphinan-2-yl]-N-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 21277938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).