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

C49H90N10O2 — CID 14365132

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

4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 14365132) has the molecular formula C49H90N10O2 and a molecular weight of 851.33 g/mol. Its IUPAC name is 4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 14365132
• Molecular Formula: C49H90N10O2
• Molecular Weight: 851.33 g/mol
• Exact Mass: 850.72
• IUPAC Name: 4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CC1(C)CC(N(CC2CCCO2)c2nc(N(CC3CCCO3)C3CC(C)(C)NC(C)(C)C3)nc(N(C3CC(C)(C)NC(C)(C)C3)C3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1
• InChI: InChI=1S/C49H90N10O2/c1-42(2)23-33(24-43(3,4)53-42)57(31-37-19-17-21-60-37)39-50-40(58(32-38-20-18-22-61-38)34-25-44(5,6)54-45(7,8)26-34)52-41(51-39)59(35-27-46(9,10)55-47(11,12)28-35)36-29-48(13,14)56-49(15,16)30-36/h33-38,53-56H,17-32H2,1-16H3
• InChIKey: GGHUGTDSUQBVSF-UHFFFAOYSA-N
• XLogP: 7.89
• TPSA: 114.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	851.33
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 14365132) is 4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CC1(C)CC(N(CC2CCCO2)c2nc(N(CC3CCCO3)C3CC(C)(C)NC(C)(C)C3)nc(N(C3CC(C)(C)NC(C)(C)C3)C3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1.

What is the InChIKey of 4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is GGHUGTDSUQBVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H90N10O2/c1-42(2)23-33(24-43(3,4)53-42)57(31-37-19-17-21-60-37)39-50-40(58(32-38-20-18-22-61-38)34-25-44(5,6)54-45(7,8)26-34)52-41(51-39)59(35-27-46(9,10)55-47(11,12)28-35)36-29-48(13,14)56-49(15,16)30-36/h33-38,53-56H,17-32H2,1-16H3.

What are the key properties of 4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 851.33 g/mol, XLogP of 7.89, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 14365132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).