N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-[4-methyl-6-(3-methylpentan-3-yl)-1,3,5-triazin-2-yl]-N'-(3-methylpentan-3-yl)hexane-1,6-diamine

C40H77N7O2 — CID 91525486

IUPACN,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-[4-methyl-6-(3-methylpentan-3-yl)-1,3,5-triazin-2-yl]-N'-(3-methylpentan-3-yl)hexane-1,6-diamine
SMILESCCC(C)(CC)c1nc(C)nc(N(CCCCCCN(C2CC(C)(C)N(O)C(C)(C)C2)C(C)(CC)CC)C2CC(C)(C)N(O)C(C)(C)C2)n1
InChIInChI=1S/C40H77N7O2/c1-16-39(14,17-2)33-41-30(5)42-34(43-33)44(31-26-35(6,7)46(48)36(8,9)27-31)24-22-20-21-23-25-45(40(15,18-3)19-4)32-28-37(10,11)47(49)38(12,13)29-32/h31-32,48-49H,16-29H2,1-15H3
InChIKeyPBAXUUKFOVFWKL-UHFFFAOYSA-N
MW688.10 g/mol
LogP9.33
Rot. Bonds16

About N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-[4-methyl-6-(3-methylpentan-3-yl)-1,3,5-triazin-2-yl]-N'-(3-methylpentan-3-yl)hexane-1,6-diamine

N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-[4-methyl-6-(3-methylpentan-3-yl)-1,3,5-triazin-2-yl]-N'-(3-methylpentan-3-yl)hexane-1,6-diamine (PubChem CID 91525486) has the molecular formula C40H77N7O2 and a molecular weight of 688.10 g/mol. Its IUPAC name is N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-[4-methyl-6-(3-methylpentan-3-yl)-1,3,5-triazin-2-yl]-N'-(3-methylpentan-3-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-[4-methyl-6-(3-methylpentan-3-yl)-1,3,5-triazin-2-yl]-N'-(3-methylpentan-3-yl)hexane-1,6-diamine
PubChem CID91525486
Molecular FormulaC40H77N7O2
Molecular Weight688.10 g/mol
Exact Mass687.61
IUPAC NameN,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-[4-methyl-6-(3-methylpentan-3-yl)-1,3,5-triazin-2-yl]-N'-(3-methylpentan-3-yl)hexane-1,6-diamine
SMILESCCC(C)(CC)c1nc(C)nc(N(CCCCCCN(C2CC(C)(C)N(O)C(C)(C)C2)C(C)(CC)CC)C2CC(C)(C)N(O)C(C)(C)C2)n1
InChIInChI=1S/C40H77N7O2/c1-16-39(14,17-2)33-41-30(5)42-34(43-33)44(31-26-35(6,7)46(48)36(8,9)27-31)24-22-20-21-23-25-45(40(15,18-3)19-4)32-28-37(10,11)47(49)38(12,13)29-32/h31-32,48-49H,16-29H2,1-15H3
InChIKeyPBAXUUKFOVFWKL-UHFFFAOYSA-N
XLogP9.33
TPSA92.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.10
LogP ≤ 59.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-[4-methyl-6-(3-methylpentan-3-yl)-1,3,5-triazin-2-yl]-N'-(3-methylpentan-3-yl)hexane-1,6-diamine?
The IUPAC name of N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-[4-methyl-6-(3-methylpentan-3-yl)-1,3,5-triazin-2-yl]-N'-(3-methylpentan-3-yl)hexane-1,6-diamine (CID 91525486) is N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-[4-methyl-6-(3-methylpentan-3-yl)-1,3,5-triazin-2-yl]-N'-(3-methylpentan-3-yl)hexane-1,6-diamine.
What is the SMILES notation for N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-[4-methyl-6-(3-methylpentan-3-yl)-1,3,5-triazin-2-yl]-N'-(3-methylpentan-3-yl)hexane-1,6-diamine?
The canonical SMILES for N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-[4-methyl-6-(3-methylpentan-3-yl)-1,3,5-triazin-2-yl]-N'-(3-methylpentan-3-yl)hexane-1,6-diamine is CCC(C)(CC)c1nc(C)nc(N(CCCCCCN(C2CC(C)(C)N(O)C(C)(C)C2)C(C)(CC)CC)C2CC(C)(C)N(O)C(C)(C)C2)n1.
What is the InChIKey of N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-[4-methyl-6-(3-methylpentan-3-yl)-1,3,5-triazin-2-yl]-N'-(3-methylpentan-3-yl)hexane-1,6-diamine?
The InChIKey is PBAXUUKFOVFWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H77N7O2/c1-16-39(14,17-2)33-41-30(5)42-34(43-33)44(31-26-35(6,7)46(48)36(8,9)27-31)24-22-20-21-23-25-45(40(15,18-3)19-4)32-28-37(10,11)47(49)38(12,13)29-32/h31-32,48-49H,16-29H2,1-15H3.
What are the key properties of N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-[4-methyl-6-(3-methylpentan-3-yl)-1,3,5-triazin-2-yl]-N'-(3-methylpentan-3-yl)hexane-1,6-diamine?
N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-[4-methyl-6-(3-methylpentan-3-yl)-1,3,5-triazin-2-yl]-N'-(3-methylpentan-3-yl)hexane-1,6-diamine has a molecular weight of 688.10 g/mol, XLogP of 9.33, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-[4-methyl-6-(3-methylpentan-3-yl)-1,3,5-triazin-2-yl]-N'-(3-methylpentan-3-yl)hexane-1,6-diamine is sourced from PubChem (CID 91525486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).