2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine

C36H67N9O5 — CID 91807159

IUPAC2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(Nc2nc(NC3CC(C)(C)N(O)C4(C3)CC(C)(C)N(O)C(C)(C)C4)nc(OC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O
InChIInChI=1S/C36H67N9O5/c1-29(2)15-23(16-30(3,4)42(29)46)37-26-39-27(41-28(40-26)50-25-19-32(7,8)43(47)33(9,10)20-25)38-24-17-31(5,6)45(49)36(18-24)21-34(11,12)44(48)35(13,14)22-36/h23-25,46-49H,15-22H2,1-14H3,(H2,37,38,39,40,41)
InChIKeyNAHKGMDDYIWJDD-UHFFFAOYSA-N
MW705.99 g/mol
LogP6.31
Rot. Bonds6

About 2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine

2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine (PubChem CID 91807159) has the molecular formula C36H67N9O5 and a molecular weight of 705.99 g/mol. Its IUPAC name is 2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine
PubChem CID91807159
Molecular FormulaC36H67N9O5
Molecular Weight705.99 g/mol
Exact Mass705.53
IUPAC Name2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(Nc2nc(NC3CC(C)(C)N(O)C4(C3)CC(C)(C)N(O)C(C)(C)C4)nc(OC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O
InChIInChI=1S/C36H67N9O5/c1-29(2)15-23(16-30(3,4)42(29)46)37-26-39-27(41-28(40-26)50-25-19-32(7,8)43(47)33(9,10)20-25)38-24-17-31(5,6)45(49)36(18-24)21-34(11,12)44(48)35(13,14)22-36/h23-25,46-49H,15-22H2,1-14H3,(H2,37,38,39,40,41)
InChIKeyNAHKGMDDYIWJDD-UHFFFAOYSA-N
XLogP6.31
TPSA165.84 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500705.99
LogP ≤ 56.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine (CID 91807159) is 2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine is CC1(C)CC(Nc2nc(NC3CC(C)(C)N(O)C4(C3)CC(C)(C)N(O)C(C)(C)C4)nc(OC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O.
What is the InChIKey of 2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine?
The InChIKey is NAHKGMDDYIWJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H67N9O5/c1-29(2)15-23(16-30(3,4)42(29)46)37-26-39-27(41-28(40-26)50-25-19-32(7,8)43(47)33(9,10)20-25)38-24-17-31(5,6)45(49)36(18-24)21-34(11,12)44(48)35(13,14)22-36/h23-25,46-49H,15-22H2,1-14H3,(H2,37,38,39,40,41).
What are the key properties of 2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine?
2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine has a molecular weight of 705.99 g/mol, XLogP of 6.31, 6 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,9-dihydroxy-2,2,8,8,10,10-hexamethyl-1,9-diazaspiro[5.5]undecan-4-yl)-4-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 91807159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).