2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C42H75N9 — CID 20870641

About 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 20870641) has the molecular formula C42H75N9 and a molecular weight of 706.12 g/mol. Its IUPAC name is 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 20870641
• Molecular Formula: C42H75N9
• Molecular Weight: 706.12 g/mol
• Exact Mass: 705.61
• IUPAC Name: 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
• SMILES: C=CCN1C(C)(C)CC(N(C)c2nc(N(C)C3CC(C)(C)N(CC=C)C(C)(C)C3)nc(N(C)C3CC(C)(C)N(CC=C)C(C)(C)C3)n2)CC1(C)C
• InChI: InChI=1S/C42H75N9/c1-19-22-49-37(4,5)25-31(26-38(49,6)7)46(16)34-43-35(47(17)32-27-39(8,9)50(23-20-2)40(10,11)28-32)45-36(44-34)48(18)33-29-41(12,13)51(24-21-3)42(14,15)30-33/h19-21,31-33H,1-3,22-30H2,4-18H3
• InChIKey: HZWDWMOERIQEJD-UHFFFAOYSA-N
• XLogP: 7.80
• TPSA: 58.11 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	706.12
LogP ≤ 5	7.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 20870641) is 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is C=CCN1C(C)(C)CC(N(C)c2nc(N(C)C3CC(C)(C)N(CC=C)C(C)(C)C3)nc(N(C)C3CC(C)(C)N(CC=C)C(C)(C)C3)n2)CC1(C)C.

What is the InChIKey of 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is HZWDWMOERIQEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H75N9/c1-19-22-49-37(4,5)25-31(26-38(49,6)7)46(16)34-43-35(47(17)32-27-39(8,9)50(23-20-2)40(10,11)28-32)45-36(44-34)48(18)33-29-41(12,13)51(24-21-3)42(14,15)30-33/h19-21,31-33H,1-3,22-30H2,4-18H3.

What are the key properties of 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?

2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 706.12 g/mol, XLogP of 7.80, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 20870641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).