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

C28H54N6 — CID 19991751

IUPAC2-N,2-N,4-N,4-N-tetrabutyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCN(CCCC)c1nc(N(CCCC)CCCC)nc(N2C(C)(C)CCCC2(C)C)n1
InChIInChI=1S/C28H54N6/c1-9-13-20-32(21-14-10-2)24-29-25(33(22-15-11-3)23-16-12-4)31-26(30-24)34-27(5,6)18-17-19-28(34,7)8/h9-23H2,1-8H3
InChIKeyJWRYOHCJPXWOBB-UHFFFAOYSA-N
MW474.78 g/mol
LogP7.23
Rot. Bonds15

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

2-N,2-N,4-N,4-N-tetrabutyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 19991751) has the molecular formula C28H54N6 and a molecular weight of 474.78 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N-tetrabutyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N-tetrabutyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID19991751
Molecular FormulaC28H54N6
Molecular Weight474.78 g/mol
Exact Mass474.44
IUPAC Name2-N,2-N,4-N,4-N-tetrabutyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCN(CCCC)c1nc(N(CCCC)CCCC)nc(N2C(C)(C)CCCC2(C)C)n1
InChIInChI=1S/C28H54N6/c1-9-13-20-32(21-14-10-2)24-29-25(33(22-15-11-3)23-16-12-4)31-26(30-24)34-27(5,6)18-17-19-28(34,7)8/h9-23H2,1-8H3
InChIKeyJWRYOHCJPXWOBB-UHFFFAOYSA-N
XLogP7.23
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.78
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N-tetrabutyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N,4-N-tetrabutyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine (CID 19991751) is 2-N,2-N,4-N,4-N-tetrabutyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N-tetrabutyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N,4-N-tetrabutyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine is CCCCN(CCCC)c1nc(N(CCCC)CCCC)nc(N2C(C)(C)CCCC2(C)C)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N-tetrabutyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JWRYOHCJPXWOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N6/c1-9-13-20-32(21-14-10-2)24-29-25(33(22-15-11-3)23-16-12-4)31-26(30-24)34-27(5,6)18-17-19-28(34,7)8/h9-23H2,1-8H3.
What are the key properties of 2-N,2-N,4-N,4-N-tetrabutyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N,4-N-tetrabutyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 474.78 g/mol, XLogP of 7.23, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N-tetrabutyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19991751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).