4-N,6-N-diethyl-2-N,2-N,4-N,6-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C47H90N10 — CID 14365133

IUPAC4-N,6-N-diethyl-2-N,2-N,4-N,6-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(c1nc(N(CC)C2CC(C)(C)N(C)C(C)(C)C2)nc(N(C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C47H90N10/c1-23-55(33-25-40(3,4)51(19)41(5,6)26-33)37-48-38(56(24-2)34-27-42(7,8)52(20)43(9,10)28-34)50-39(49-37)57(35-29-44(11,12)53(21)45(13,14)30-35)36-31-46(15,16)54(22)47(17,18)32-36/h33-36H,23-32H2,1-22H3
InChIKeyYLIQBKSTTSZORI-UHFFFAOYSA-N
MW795.31 g/mol
LogP8.94
Rot. Bonds9

About 4-N,6-N-diethyl-2-N,2-N,4-N,6-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

4-N,6-N-diethyl-2-N,2-N,4-N,6-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 14365133) has the molecular formula C47H90N10 and a molecular weight of 795.31 g/mol. Its IUPAC name is 4-N,6-N-diethyl-2-N,2-N,4-N,6-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-diethyl-2-N,2-N,4-N,6-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID14365133
Molecular FormulaC47H90N10
Molecular Weight795.31 g/mol
Exact Mass794.73
IUPAC Name4-N,6-N-diethyl-2-N,2-N,4-N,6-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(c1nc(N(CC)C2CC(C)(C)N(C)C(C)(C)C2)nc(N(C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C47H90N10/c1-23-55(33-25-40(3,4)51(19)41(5,6)26-33)37-48-38(56(24-2)34-27-42(7,8)52(20)43(9,10)28-34)50-39(49-37)57(35-29-44(11,12)53(21)45(13,14)30-35)36-31-46(15,16)54(22)47(17,18)32-36/h33-36H,23-32H2,1-22H3
InChIKeyYLIQBKSTTSZORI-UHFFFAOYSA-N
XLogP8.94
TPSA61.35 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.31
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-N,6-N-diethyl-2-N,2-N,4-N,6-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-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 4-N,6-N-diethyl-2-N,2-N,4-N,6-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-diethyl-2-N,2-N,4-N,6-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 14365133) is 4-N,6-N-diethyl-2-N,2-N,4-N,6-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-diethyl-2-N,2-N,4-N,6-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-diethyl-2-N,2-N,4-N,6-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCN(c1nc(N(CC)C2CC(C)(C)N(C)C(C)(C)C2)nc(N(C2CC(C)(C)N(C)C(C)(C)C2)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 4-N,6-N-diethyl-2-N,2-N,4-N,6-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is YLIQBKSTTSZORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H90N10/c1-23-55(33-25-40(3,4)51(19)41(5,6)26-33)37-48-38(56(24-2)34-27-42(7,8)52(20)43(9,10)28-34)50-39(49-37)57(35-29-44(11,12)53(21)45(13,14)30-35)36-31-46(15,16)54(22)47(17,18)32-36/h33-36H,23-32H2,1-22H3.
What are the key properties of 4-N,6-N-diethyl-2-N,2-N,4-N,6-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
4-N,6-N-diethyl-2-N,2-N,4-N,6-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 795.31 g/mol, XLogP of 8.94, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-diethyl-2-N,2-N,4-N,6-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 14365133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).