2-N-[2-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C62H116N18 — CID 23464884

IUPAC2-N-[2-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCC1(C)CC(Nc2nc(NC3CC(C)(C)NC(C)(C)C3)nc(N(CCN(c3nc(NC4CC(C)(C)NC(C)(C)C4)nc(NC4CC(C)(C)NC(C)(C)C4)n3)C3CC(C)(C)NC(C)(C)C3)C3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1
InChIInChI=1S/C62H116N18/c1-51(2)27-39(28-52(3,4)73-51)63-45-67-46(64-40-29-53(5,6)74-54(7,8)30-40)70-49(69-45)79(43-35-59(17,18)77-60(19,20)36-43)25-26-80(44-37-61(21,22)78-62(23,24)38-44)50-71-47(65-41-31-55(9,10)75-56(11,12)32-41)68-48(72-50)66-42-33-57(13,14)76-58(15,16)34-42/h39-44,73-78H,25-38H2,1-24H3,(H2,63,64,67,69,70)(H2,65,66,68,71,72)
InChIKeyNCXHDEJDOQOYFW-UHFFFAOYSA-N
MW1113.74 g/mol
LogP9.87
Rot. Bonds15

About 2-N-[2-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

2-N-[2-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 23464884) has the molecular formula C62H116N18 and a molecular weight of 1113.74 g/mol. Its IUPAC name is 2-N-[2-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[2-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID23464884
Molecular FormulaC62H116N18
Molecular Weight1113.74 g/mol
Exact Mass1112.96
IUPAC Name2-N-[2-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCC1(C)CC(Nc2nc(NC3CC(C)(C)NC(C)(C)C3)nc(N(CCN(c3nc(NC4CC(C)(C)NC(C)(C)C4)nc(NC4CC(C)(C)NC(C)(C)C4)n3)C3CC(C)(C)NC(C)(C)C3)C3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1
InChIInChI=1S/C62H116N18/c1-51(2)27-39(28-52(3,4)73-51)63-45-67-46(64-40-29-53(5,6)74-54(7,8)30-40)70-49(69-45)79(43-35-59(17,18)77-60(19,20)36-43)25-26-80(44-37-61(21,22)78-62(23,24)38-44)50-71-47(65-41-31-55(9,10)75-56(11,12)32-41)68-48(72-50)66-42-33-57(13,14)76-58(15,16)34-42/h39-44,73-78H,25-38H2,1-24H3,(H2,63,64,67,69,70)(H2,65,66,68,71,72)
InChIKeyNCXHDEJDOQOYFW-UHFFFAOYSA-N
XLogP9.87
TPSA204.12 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms80
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001113.74
LogP ≤ 59.87
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Analyze 2-N-[2-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[2-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 23464884) is 2-N-[2-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[2-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[2-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CC1(C)CC(Nc2nc(NC3CC(C)(C)NC(C)(C)C3)nc(N(CCN(c3nc(NC4CC(C)(C)NC(C)(C)C4)nc(NC4CC(C)(C)NC(C)(C)C4)n3)C3CC(C)(C)NC(C)(C)C3)C3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1.
What is the InChIKey of 2-N-[2-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NCXHDEJDOQOYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H116N18/c1-51(2)27-39(28-52(3,4)73-51)63-45-67-46(64-40-29-53(5,6)74-54(7,8)30-40)70-49(69-45)79(43-35-59(17,18)77-60(19,20)36-43)25-26-80(44-37-61(21,22)78-62(23,24)38-44)50-71-47(65-41-31-55(9,10)75-56(11,12)32-41)68-48(72-50)66-42-33-57(13,14)76-58(15,16)34-42/h39-44,73-78H,25-38H2,1-24H3,(H2,63,64,67,69,70)(H2,65,66,68,71,72).
What are the key properties of 2-N-[2-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
2-N-[2-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1113.74 g/mol, XLogP of 9.87, 15 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[[4,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-2-N,4-N,6-N-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23464884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).