6-N-[3-[bis[4-[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]butyl]amino]propyl]-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C80H149N23 — CID 161258183

IUPAC6-N-[3-[bis[4-[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]butyl]amino]propyl]-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCN1C(C)(C)CC(Nc2nc(CCCCN(CCCCc3nc(NC4CC(C)(C)N(C)C(C)(C)C4)nc(NC4CC(C)(C)N(C)C(C)(C)C4)n3)CCCNc3nc(NC4CC(C)(C)N(C)C(C)(C)C4)nc(NC4CC(C)(C)N(C)C(C)(C)C4)n3)nc(NC3CC(C)(C)N(C)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C80H149N23/c1-69(2)42-54(43-70(3,4)97(69)25)82-63-88-60(89-64(94-63)83-55-44-71(5,6)98(26)72(7,8)45-55)36-31-33-39-103(40-34-32-37-61-90-65(84-56-46-73(9,10)99(27)74(11,12)47-56)95-66(91-61)85-57-48-75(13,14)100(28)76(15,16)49-57)41-35-38-81-62-92-67(86-58-50-77(17,18)101(29)78(19,20)51-58)96-68(93-62)87-59-52-79(21,22)102(30)80(23,24)53-59/h54-59H,31-53H2,1-30H3,(H2,82,83,88,89,94)(H2,84,85,90,91,95)(H3,81,86,87,92,93,96)
InChIKeySKBXXQZLCVVKKY-UHFFFAOYSA-N
MW1433.23 g/mol
LogP13.77
Rot. Bonds27

About 6-N-[3-[bis[4-[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]butyl]amino]propyl]-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

6-N-[3-[bis[4-[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]butyl]amino]propyl]-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 161258183) has the molecular formula C80H149N23 and a molecular weight of 1433.23 g/mol. Its IUPAC name is 6-N-[3-[bis[4-[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]butyl]amino]propyl]-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[3-[bis[4-[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]butyl]amino]propyl]-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID161258183
Molecular FormulaC80H149N23
Molecular Weight1433.23 g/mol
Exact Mass1432.24
IUPAC Name6-N-[3-[bis[4-[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]butyl]amino]propyl]-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCN1C(C)(C)CC(Nc2nc(CCCCN(CCCCc3nc(NC4CC(C)(C)N(C)C(C)(C)C4)nc(NC4CC(C)(C)N(C)C(C)(C)C4)n3)CCCNc3nc(NC4CC(C)(C)N(C)C(C)(C)C4)nc(NC4CC(C)(C)N(C)C(C)(C)C4)n3)nc(NC3CC(C)(C)N(C)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C80H149N23/c1-69(2)42-54(43-70(3,4)97(69)25)82-63-88-60(89-64(94-63)83-55-44-71(5,6)98(26)72(7,8)45-55)36-31-33-39-103(40-34-32-37-61-90-65(84-56-46-73(9,10)99(27)74(11,12)47-56)95-66(91-61)85-57-48-75(13,14)100(28)76(15,16)49-57)41-35-38-81-62-92-67(86-58-50-77(17,18)101(29)78(19,20)51-58)96-68(93-62)87-59-52-79(21,22)102(30)80(23,24)53-59/h54-59H,31-53H2,1-30H3,(H2,82,83,88,89,94)(H2,84,85,90,91,95)(H3,81,86,87,92,93,96)
InChIKeySKBXXQZLCVVKKY-UHFFFAOYSA-N
XLogP13.77
TPSA222.90 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds27
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001433.23
LogP ≤ 513.77
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 6-N-[3-[bis[4-[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]butyl]amino]propyl]-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-[3-[bis[4-[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]butyl]amino]propyl]-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[3-[bis[4-[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]butyl]amino]propyl]-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 161258183) is 6-N-[3-[bis[4-[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]butyl]amino]propyl]-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[3-[bis[4-[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]butyl]amino]propyl]-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[3-[bis[4-[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]butyl]amino]propyl]-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CN1C(C)(C)CC(Nc2nc(CCCCN(CCCCc3nc(NC4CC(C)(C)N(C)C(C)(C)C4)nc(NC4CC(C)(C)N(C)C(C)(C)C4)n3)CCCNc3nc(NC4CC(C)(C)N(C)C(C)(C)C4)nc(NC4CC(C)(C)N(C)C(C)(C)C4)n3)nc(NC3CC(C)(C)N(C)C(C)(C)C3)n2)CC1(C)C.
What is the InChIKey of 6-N-[3-[bis[4-[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]butyl]amino]propyl]-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is SKBXXQZLCVVKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H149N23/c1-69(2)42-54(43-70(3,4)97(69)25)82-63-88-60(89-64(94-63)83-55-44-71(5,6)98(26)72(7,8)45-55)36-31-33-39-103(40-34-32-37-61-90-65(84-56-46-73(9,10)99(27)74(11,12)47-56)95-66(91-61)85-57-48-75(13,14)100(28)76(15,16)49-57)41-35-38-81-62-92-67(86-58-50-77(17,18)101(29)78(19,20)51-58)96-68(93-62)87-59-52-79(21,22)102(30)80(23,24)53-59/h54-59H,31-53H2,1-30H3,(H2,82,83,88,89,94)(H2,84,85,90,91,95)(H3,81,86,87,92,93,96).
What are the key properties of 6-N-[3-[bis[4-[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]butyl]amino]propyl]-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
6-N-[3-[bis[4-[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]butyl]amino]propyl]-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1433.23 g/mol, XLogP of 13.77, 27 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-[bis[4-[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]butyl]amino]propyl]-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 161258183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).