Poly((6-((1,1,3,3-tetramethylbutyl)amino)-1,3,5-triazine-2,4-diyl)((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino)-1,6-hexanediyl((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino))

C37H73N9O2 — CID 171036765

IUPAC—
SMILESCc1nc(NC(C)(C)CC(C)(C)C)nc(N(CCCCCCN(C)C2CC(C)(C)N([O])C(C)(C)C2)C2CC(C)(C)N([O])C(C)(C)C2)n1.N
InChIInChI=1S/C37H70N8O2.H3N/c1-27-38-30(41-33(5,6)26-32(2,3)4)40-31(39-27)43(29-24-36(11,12)45(47)37(13,14)25-29)21-19-17-16-18-20-42(15)28-22-34(7,8)44(46)35(9,10)23-28;/h28-29H,16-26H2,1-15H3,(H,38,39,40,41);1H3
InChIKeyYTIJWFVRMUWBBY-UHFFFAOYSA-N
MW676.05 g/mol
LogP8.00
Rot. Bonds13

About Poly((6-((1,1,3,3-tetramethylbutyl)amino)-1,3,5-triazine-2,4-diyl)((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino)-1,6-hexanediyl((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino))

Poly((6-((1,1,3,3-tetramethylbutyl)amino)-1,3,5-triazine-2,4-diyl)((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino)-1,6-hexanediyl((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino)) (PubChem CID 171036765) has the molecular formula C37H73N9O2 and a molecular weight of 676.05 g/mol.

Molecular Properties

Compound NamePoly((6-((1,1,3,3-tetramethylbutyl)amino)-1,3,5-triazine-2,4-diyl)((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino)-1,6-hexanediyl((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino))
PubChem CID171036765
Molecular FormulaC37H73N9O2
Molecular Weight676.05 g/mol
Exact Mass675.59
IUPAC Name—
SMILESCc1nc(NC(C)(C)CC(C)(C)C)nc(N(CCCCCCN(C)C2CC(C)(C)N([O])C(C)(C)C2)C2CC(C)(C)N([O])C(C)(C)C2)n1.N
InChIInChI=1S/C37H70N8O2.H3N/c1-27-38-30(41-33(5,6)26-32(2,3)4)40-31(39-27)43(29-24-36(11,12)45(47)37(13,14)25-29)21-19-17-16-18-20-42(15)28-22-34(7,8)44(46)35(9,10)23-28;/h28-29H,16-26H2,1-15H3,(H,38,39,40,41);1H3
InChIKeyYTIJWFVRMUWBBY-UHFFFAOYSA-N
XLogP8.00
TPSA138.46 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.05
LogP ≤ 58.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze Poly((6-((1,1,3,3-tetramethylbutyl)amino)-1,3,5-triazine-2,4-diyl)((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino)-1,6-hexanediyl((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of Poly((6-((1,1,3,3-tetramethylbutyl)amino)-1,3,5-triazine-2,4-diyl)((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino)-1,6-hexanediyl((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino))?
The IUPAC name of Poly((6-((1,1,3,3-tetramethylbutyl)amino)-1,3,5-triazine-2,4-diyl)((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino)-1,6-hexanediyl((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino)) (CID 171036765) is not available.
What is the SMILES notation for Poly((6-((1,1,3,3-tetramethylbutyl)amino)-1,3,5-triazine-2,4-diyl)((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino)-1,6-hexanediyl((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino))?
The canonical SMILES for Poly((6-((1,1,3,3-tetramethylbutyl)amino)-1,3,5-triazine-2,4-diyl)((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino)-1,6-hexanediyl((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino)) is Cc1nc(NC(C)(C)CC(C)(C)C)nc(N(CCCCCCN(C)C2CC(C)(C)N([O])C(C)(C)C2)C2CC(C)(C)N([O])C(C)(C)C2)n1.N.
What is the InChIKey of Poly((6-((1,1,3,3-tetramethylbutyl)amino)-1,3,5-triazine-2,4-diyl)((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino)-1,6-hexanediyl((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino))?
The InChIKey is YTIJWFVRMUWBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H70N8O2.H3N/c1-27-38-30(41-33(5,6)26-32(2,3)4)40-31(39-27)43(29-24-36(11,12)45(47)37(13,14)25-29)21-19-17-16-18-20-42(15)28-22-34(7,8)44(46)35(9,10)23-28;/h28-29H,16-26H2,1-15H3,(H,38,39,40,41);1H3.
What are the key properties of Poly((6-((1,1,3,3-tetramethylbutyl)amino)-1,3,5-triazine-2,4-diyl)((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino)-1,6-hexanediyl((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino))?
Poly((6-((1,1,3,3-tetramethylbutyl)amino)-1,3,5-triazine-2,4-diyl)((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino)-1,6-hexanediyl((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino)) has a molecular weight of 676.05 g/mol, XLogP of 8.00, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for Poly((6-((1,1,3,3-tetramethylbutyl)amino)-1,3,5-triazine-2,4-diyl)((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino)-1,6-hexanediyl((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)imino)) is sourced from PubChem (CID 171036765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).