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

C31H60N8O2 — CID 19090184

IUPAC2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCCC(Nc1nc(N)nc(NC(CCC)C2CC(C)(C)N(OC)C(C)(C)C2)n1)C1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C31H60N8O2/c1-13-15-23(21-17-28(3,4)38(40-11)29(5,6)18-21)33-26-35-25(32)36-27(37-26)34-24(16-14-2)22-19-30(7,8)39(41-12)31(9,10)20-22/h21-24H,13-20H2,1-12H3,(H4,32,33,34,35,36,37)
InChIKeyGOVOAAWGLAPTDG-UHFFFAOYSA-N
MW576.88 g/mol
LogP6.28
Rot. Bonds12

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

2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 19090184) has the molecular formula C31H60N8O2 and a molecular weight of 576.88 g/mol. Its IUPAC name is 2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID19090184
Molecular FormulaC31H60N8O2
Molecular Weight576.88 g/mol
Exact Mass576.48
IUPAC Name2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCCC(Nc1nc(N)nc(NC(CCC)C2CC(C)(C)N(OC)C(C)(C)C2)n1)C1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C31H60N8O2/c1-13-15-23(21-17-28(3,4)38(40-11)29(5,6)18-21)33-26-35-25(32)36-27(37-26)34-24(16-14-2)22-19-30(7,8)39(41-12)31(9,10)20-22/h21-24H,13-20H2,1-12H3,(H4,32,33,34,35,36,37)
InChIKeyGOVOAAWGLAPTDG-UHFFFAOYSA-N
XLogP6.28
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.88
LogP ≤ 56.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine (CID 19090184) is 2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine is CCCC(Nc1nc(N)nc(NC(CCC)C2CC(C)(C)N(OC)C(C)(C)C2)n1)C1CC(C)(C)N(OC)C(C)(C)C1.
What is the InChIKey of 2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is GOVOAAWGLAPTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H60N8O2/c1-13-15-23(21-17-28(3,4)38(40-11)29(5,6)18-21)33-26-35-25(32)36-27(37-26)34-24(16-14-2)22-19-30(7,8)39(41-12)31(9,10)20-22/h21-24H,13-20H2,1-12H3,(H4,32,33,34,35,36,37).
What are the key properties of 2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 576.88 g/mol, XLogP of 6.28, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19090184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).