6-ethoxy-2-N,4-N-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine

C31H59N7O — CID 19073311

IUPAC6-ethoxy-2-N,4-N-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
SMILESCCCC(Nc1nc(NC(CCC)C2CC(C)(C)NC(C)(C)C2)nc(OCC)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C31H59N7O/c1-12-15-23(21-17-28(4,5)37-29(6,7)18-21)32-25-34-26(36-27(35-25)39-14-3)33-24(16-13-2)22-19-30(8,9)38-31(10,11)20-22/h21-24,37-38H,12-20H2,1-11H3,(H2,32,33,34,35,36)
InChIKeyFSJWMWNJRKZESV-UHFFFAOYSA-N
MW545.86 g/mol
LogP6.55
Rot. Bonds12

About 6-ethoxy-2-N,4-N-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N,4-N-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine (PubChem CID 19073311) has the molecular formula C31H59N7O and a molecular weight of 545.86 g/mol. Its IUPAC name is 6-ethoxy-2-N,4-N-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N,4-N-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
PubChem CID19073311
Molecular FormulaC31H59N7O
Molecular Weight545.86 g/mol
Exact Mass545.48
IUPAC Name6-ethoxy-2-N,4-N-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
SMILESCCCC(Nc1nc(NC(CCC)C2CC(C)(C)NC(C)(C)C2)nc(OCC)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C31H59N7O/c1-12-15-23(21-17-28(4,5)37-29(6,7)18-21)32-25-34-26(36-27(35-25)39-14-3)33-24(16-13-2)22-19-30(8,9)38-31(10,11)20-22/h21-24,37-38H,12-20H2,1-11H3,(H2,32,33,34,35,36)
InChIKeyFSJWMWNJRKZESV-UHFFFAOYSA-N
XLogP6.55
TPSA96.02 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.86
LogP ≤ 56.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

6-Chloro-N,N'-bis(3-methoxypropyl)-N,N'-bis(2,2,6,6-tetramethyl-4-piperidyl)-1,3,5-triazine-2,4-diamine
CID 11970672
2-[[4,6-Bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 14746199
2,4-bis-[N-ethyl-N-(2,2,6,6-tetramethyl-4-piperidyl)amino]-6-(2-hydroxyethoxy)-1,3,5-triazine
CID 14746200
2-[[4,6-Bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]oxy]ethanol
CID 14746201
2-[[4,6-Bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 14746205
6-chloro-2-N,4-N-bis[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 15250400
2-[[4,6-Bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 15250401
6-butoxy-2-N,4-N-bis(2,2-dimethylbutyl)-2-N,4-N-bis(2,2-dimethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 17977622
2-N,4-N-bis(2,2-dimethylbutyl)-2-N,4-N-bis(2,2-dimethylpiperidin-4-yl)-6-octoxy-1,3,5-triazine-2,4-diamine
CID 17977623
6-butoxy-2-N,4-N-dimethyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 17977624
2-N,2-N-dioctyl-4-N,6-N-bis[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 17977643
2-N,4-N-dimethyl-6-octoxy-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 17977644

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N,4-N-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N,4-N-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine (CID 19073311) is 6-ethoxy-2-N,4-N-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N,4-N-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N,4-N-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine is CCCC(Nc1nc(NC(CCC)C2CC(C)(C)NC(C)(C)C2)nc(OCC)n1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 6-ethoxy-2-N,4-N-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is FSJWMWNJRKZESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H59N7O/c1-12-15-23(21-17-28(4,5)37-29(6,7)18-21)32-25-34-26(36-27(35-25)39-14-3)33-24(16-13-2)22-19-30(8,9)38-31(10,11)20-22/h21-24,37-38H,12-20H2,1-11H3,(H2,32,33,34,35,36).
What are the key properties of 6-ethoxy-2-N,4-N-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N,4-N-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 545.86 g/mol, XLogP of 6.55, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N,4-N-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19073311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).