2-N,4-N,6-N,6-N-tetrabutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C37H72N8 — CID 57125933

IUPAC2-N,4-N,6-N,6-N-tetrabutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(CCCC)c1nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C37H72N8/c1-13-17-21-43(22-18-14-2)31-38-32(44(23-19-15-3)29-25-34(5,6)41-35(7,8)26-29)40-33(39-31)45(24-20-16-4)30-27-36(9,10)42-37(11,12)28-30/h29-30,41-42H,13-28H2,1-12H3
InChIKeyGDOLUCLNBDMOCL-UHFFFAOYSA-N
MW629.04 g/mol
LogP8.11
Rot. Bonds17

About 2-N,4-N,6-N,6-N-tetrabutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N,6-N-tetrabutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 57125933) has the molecular formula C37H72N8 and a molecular weight of 629.04 g/mol. Its IUPAC name is 2-N,4-N,6-N,6-N-tetrabutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N,6-N-tetrabutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID57125933
Molecular FormulaC37H72N8
Molecular Weight629.04 g/mol
Exact Mass628.59
IUPAC Name2-N,4-N,6-N,6-N-tetrabutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(CCCC)c1nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C37H72N8/c1-13-17-21-43(22-18-14-2)31-38-32(44(23-19-15-3)29-25-34(5,6)41-35(7,8)26-29)40-33(39-31)45(24-20-16-4)30-27-36(9,10)42-37(11,12)28-30/h29-30,41-42H,13-28H2,1-12H3
InChIKeyGDOLUCLNBDMOCL-UHFFFAOYSA-N
XLogP8.11
TPSA72.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.04
LogP ≤ 58.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N,4-N,6-N,6-N-tetrabutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-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 2-N,4-N,6-N,6-N-tetrabutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N,6-N-tetrabutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 57125933) is 2-N,4-N,6-N,6-N-tetrabutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N,6-N-tetrabutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N,6-N-tetrabutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCCN(CCCC)c1nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of 2-N,4-N,6-N,6-N-tetrabutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is GDOLUCLNBDMOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H72N8/c1-13-17-21-43(22-18-14-2)31-38-32(44(23-19-15-3)29-25-34(5,6)41-35(7,8)26-29)40-33(39-31)45(24-20-16-4)30-27-36(9,10)42-37(11,12)28-30/h29-30,41-42H,13-28H2,1-12H3.
What are the key properties of 2-N,4-N,6-N,6-N-tetrabutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N,6-N-tetrabutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 629.04 g/mol, XLogP of 8.11, 17 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N,6-N-tetrabutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 57125933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).