4-N,6-N-dibutyl-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

C51H98N10 — CID 14365134

IUPAC4-N,6-N-dibutyl-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
SMILESCCCCN(c1nc(N(CCCC)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/C51H98N10/c1-23-25-27-59(37-29-44(3,4)55(19)45(5,6)30-37)41-52-42(60(28-26-24-2)38-31-46(7,8)56(20)47(9,10)32-38)54-43(53-41)61(39-33-48(11,12)57(21)49(13,14)34-39)40-35-50(15,16)58(22)51(17,18)36-40/h37-40H,23-36H2,1-22H3
InChIKeyOONDZGFEADKOSO-UHFFFAOYSA-N
MW851.41 g/mol
LogP10.50
Rot. Bonds13

About 4-N,6-N-dibutyl-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-dibutyl-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 14365134) has the molecular formula C51H98N10 and a molecular weight of 851.41 g/mol. Its IUPAC name is 4-N,6-N-dibutyl-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-dibutyl-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 CID14365134
Molecular FormulaC51H98N10
Molecular Weight851.41 g/mol
Exact Mass850.80
IUPAC Name4-N,6-N-dibutyl-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
SMILESCCCCN(c1nc(N(CCCC)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/C51H98N10/c1-23-25-27-59(37-29-44(3,4)55(19)45(5,6)30-37)41-52-42(60(28-26-24-2)38-31-46(7,8)56(20)47(9,10)32-38)54-43(53-41)61(39-33-48(11,12)57(21)49(13,14)34-39)40-35-50(15,16)58(22)51(17,18)36-40/h37-40H,23-36H2,1-22H3
InChIKeyOONDZGFEADKOSO-UHFFFAOYSA-N
XLogP10.50
TPSA61.35 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.41
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dibutyl-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-dibutyl-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 14365134) is 4-N,6-N-dibutyl-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-dibutyl-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-dibutyl-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 CCCCN(c1nc(N(CCCC)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-dibutyl-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 OONDZGFEADKOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H98N10/c1-23-25-27-59(37-29-44(3,4)55(19)45(5,6)30-37)41-52-42(60(28-26-24-2)38-31-46(7,8)56(20)47(9,10)32-38)54-43(53-41)61(39-33-48(11,12)57(21)49(13,14)34-39)40-35-50(15,16)58(22)51(17,18)36-40/h37-40H,23-36H2,1-22H3.
What are the key properties of 4-N,6-N-dibutyl-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-dibutyl-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 851.41 g/mol, XLogP of 10.50, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dibutyl-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 14365134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).