1-N,6-N-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-6-methylheptane-1,6-diamine

C74H130N12O8 — CID 19832523

About 1-N,6-N-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-6-methylheptane-1,6-diamine

1-N,6-N-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-6-methylheptane-1,6-diamine (PubChem CID 19832523) has the molecular formula C74H130N12O8 and a molecular weight of 1315.93 g/mol. Its IUPAC name is 1-N,6-N-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-6-methylheptane-1,6-diamine.

Molecular Properties

• Compound Name: 1-N,6-N-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-6-methylheptane-1,6-diamine
• PubChem CID: 19832523
• Molecular Formula: C74H130N12O8
• Molecular Weight: 1315.93 g/mol
• Exact Mass: 1315.01
• IUPAC Name: 1-N,6-N-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-6-methylheptane-1,6-diamine
• SMILES: CC(C)(CCCCCNc1nc(OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)Nc1nc(OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1
• InChI: InChI=1S/C74H130N12O8/c1-66(2,82-61-78-64(89-58-48-71(11,12)85(72(13,14)49-58)93-54-38-28-21-29-39-54)81-65(79-61)90-59-50-73(15,16)86(74(17,18)51-59)94-55-40-30-22-31-41-55)42-32-23-33-43-75-60-76-62(87-56-44-67(3,4)83(68(5,6)45-56)91-52-34-24-19-25-35-52)80-63(77-60)88-57-46-69(7,8)84(70(9,10)47-57)92-53-36-26-20-27-37-53/h52-59H,19-51H2,1-18H3,(H,75,76,77,80)(H,78,79,81,82)
• InChIKey: BUTXEYGKXSKSPC-UHFFFAOYSA-N
• XLogP: 16.58
• TPSA: 188.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1315.93
LogP ≤ 5	16.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-6-methylheptane-1,6-diamine?

The IUPAC name of 1-N,6-N-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-6-methylheptane-1,6-diamine (CID 19832523) is 1-N,6-N-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-6-methylheptane-1,6-diamine.

What is the SMILES notation for 1-N,6-N-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-6-methylheptane-1,6-diamine?

The canonical SMILES for 1-N,6-N-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-6-methylheptane-1,6-diamine is CC(C)(CCCCCNc1nc(OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)Nc1nc(OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1.

What is the InChIKey of 1-N,6-N-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-6-methylheptane-1,6-diamine?

The InChIKey is BUTXEYGKXSKSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H130N12O8/c1-66(2,82-61-78-64(89-58-48-71(11,12)85(72(13,14)49-58)93-54-38-28-21-29-39-54)81-65(79-61)90-59-50-73(15,16)86(74(17,18)51-59)94-55-40-30-22-31-41-55)42-32-23-33-43-75-60-76-62(87-56-44-67(3,4)83(68(5,6)45-56)91-52-34-24-19-25-35-52)80-63(77-60)88-57-46-69(7,8)84(70(9,10)47-57)92-53-36-26-20-27-37-53/h52-59H,19-51H2,1-18H3,(H,75,76,77,80)(H,78,79,81,82).

What are the key properties of 1-N,6-N-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-6-methylheptane-1,6-diamine?

1-N,6-N-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-6-methylheptane-1,6-diamine has a molecular weight of 1315.93 g/mol, XLogP of 16.58, 25 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,6-N-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-6-methylheptane-1,6-diamine is sourced from PubChem (CID 19832523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).