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

C74H130N12O8 — CID 19832524

IUPACN,N'-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-dimethylhexane-1,6-diamine
SMILESCN(CCCCCCN(C)c1nc(OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)c1nc(OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1
InChIInChI=1S/C74H130N12O8/c1-67(2)45-57(46-68(3,4)83(67)91-53-35-25-21-26-36-53)87-63-75-61(76-64(79-63)88-58-47-69(5,6)84(70(7,8)48-58)92-54-37-27-22-28-38-54)81(17)43-33-19-20-34-44-82(18)62-77-65(89-59-49-71(9,10)85(72(11,12)50-59)93-55-39-29-23-30-40-55)80-66(78-62)90-60-51-73(13,14)86(74(15,16)52-60)94-56-41-31-24-32-42-56/h53-60H,19-52H2,1-18H3
InChIKeyVRUMZMRGSZEQJT-UHFFFAOYSA-N
MW1315.93 g/mol
LogP15.85
Rot. Bonds25

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

N,N'-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-dimethylhexane-1,6-diamine (PubChem CID 19832524) has the molecular formula C74H130N12O8 and a molecular weight of 1315.93 g/mol. Its IUPAC name is N,N'-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-dimethylhexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-dimethylhexane-1,6-diamine
PubChem CID19832524
Molecular FormulaC74H130N12O8
Molecular Weight1315.93 g/mol
Exact Mass1315.01
IUPAC NameN,N'-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-dimethylhexane-1,6-diamine
SMILESCN(CCCCCCN(C)c1nc(OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)c1nc(OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1
InChIInChI=1S/C74H130N12O8/c1-67(2)45-57(46-68(3,4)83(67)91-53-35-25-21-26-36-53)87-63-75-61(76-64(79-63)88-58-47-69(5,6)84(70(7,8)48-58)92-54-37-27-22-28-38-54)81(17)43-33-19-20-34-44-82(18)62-77-65(89-59-49-71(9,10)85(72(11,12)50-59)93-55-39-29-23-30-40-55)80-66(78-62)90-60-51-73(13,14)86(74(15,16)52-60)94-56-41-31-24-32-42-56/h53-60H,19-52H2,1-18H3
InChIKeyVRUMZMRGSZEQJT-UHFFFAOYSA-N
XLogP15.85
TPSA170.62 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001315.93
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-dimethylhexane-1,6-diamine?
The IUPAC name of N,N'-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-dimethylhexane-1,6-diamine (CID 19832524) is N,N'-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-dimethylhexane-1,6-diamine.
What is the SMILES notation for N,N'-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-dimethylhexane-1,6-diamine?
The canonical SMILES for N,N'-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-dimethylhexane-1,6-diamine is CN(CCCCCCN(C)c1nc(OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)c1nc(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 N,N'-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-dimethylhexane-1,6-diamine?
The InChIKey is VRUMZMRGSZEQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H130N12O8/c1-67(2)45-57(46-68(3,4)83(67)91-53-35-25-21-26-36-53)87-63-75-61(76-64(79-63)88-58-47-69(5,6)84(70(7,8)48-58)92-54-37-27-22-28-38-54)81(17)43-33-19-20-34-44-82(18)62-77-65(89-59-49-71(9,10)85(72(11,12)50-59)93-55-39-29-23-30-40-55)80-66(78-62)90-60-51-73(13,14)86(74(15,16)52-60)94-56-41-31-24-32-42-56/h53-60H,19-52H2,1-18H3.
What are the key properties of N,N'-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-dimethylhexane-1,6-diamine?
N,N'-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-dimethylhexane-1,6-diamine has a molecular weight of 1315.93 g/mol, XLogP of 15.85, 25 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-dimethylhexane-1,6-diamine is sourced from PubChem (CID 19832524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).