2-N,2-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N,6-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine

C47H90N10 — CID 70359638

IUPAC2-N,2-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N,6-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCC(Nc1nc(NC(C)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/c1-31(33-23-40(3,4)53(19)41(5,6)24-33)48-37-50-38(49-32(2)34-25-42(7,8)54(20)43(9,10)26-34)52-39(51-37)57(35-27-44(11,12)55(21)45(13,14)28-35)36-29-46(15,16)56(22)47(17,18)30-36/h31-36H,23-30H2,1-22H3,(H2,48,49,50,51,52)
InChIKeyFRQDJMMJKTXJNO-UHFFFAOYSA-N
MW795.31 g/mol
LogP9.38
Rot. Bonds9

About 2-N,2-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N,6-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine

2-N,2-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N,6-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 70359638) has the molecular formula C47H90N10 and a molecular weight of 795.31 g/mol. Its IUPAC name is 2-N,2-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N,6-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N,6-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID70359638
Molecular FormulaC47H90N10
Molecular Weight795.31 g/mol
Exact Mass794.73
IUPAC Name2-N,2-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N,6-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCC(Nc1nc(NC(C)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/c1-31(33-23-40(3,4)53(19)41(5,6)24-33)48-37-50-38(49-32(2)34-25-42(7,8)54(20)43(9,10)26-34)52-39(51-37)57(35-27-44(11,12)55(21)45(13,14)28-35)36-29-46(15,16)56(22)47(17,18)30-36/h31-36H,23-30H2,1-22H3,(H2,48,49,50,51,52)
InChIKeyFRQDJMMJKTXJNO-UHFFFAOYSA-N
XLogP9.38
TPSA78.93 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.31
LogP ≤ 59.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-N,2-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N,6-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]-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,2-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N,6-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N,6-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine (CID 70359638) is 2-N,2-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N,6-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N,6-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N,6-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine is CC(Nc1nc(NC(C)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 2-N,2-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N,6-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is FRQDJMMJKTXJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H90N10/c1-31(33-23-40(3,4)53(19)41(5,6)24-33)48-37-50-38(49-32(2)34-25-42(7,8)54(20)43(9,10)26-34)52-39(51-37)57(35-27-44(11,12)55(21)45(13,14)28-35)36-29-46(15,16)56(22)47(17,18)30-36/h31-36H,23-30H2,1-22H3,(H2,48,49,50,51,52).
What are the key properties of 2-N,2-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N,6-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N,6-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 795.31 g/mol, XLogP of 9.38, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N,6-N-bis[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 70359638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).