6-[[4-[(4-amino-2-methylbutan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]hexan-1-ol

C36H71N9O2 — CID 70450440

IUPAC6-[[4-[(4-amino-2-methylbutan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]hexan-1-ol
SMILESCOCCCN(c1nc(NCCCCCCO)nc(N(C2CC(C)(C)NC(C)(C)C2)C(C)(C)CCN)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C36H71N9O2/c1-32(2)23-27(24-33(3,4)42-32)44(20-16-22-47-11)30-39-29(38-19-14-12-13-15-21-46)40-31(41-30)45(36(9,10)17-18-37)28-25-34(5,6)43-35(7,8)26-28/h27-28,42-43,46H,12-26,37H2,1-11H3,(H,38,39,40,41)
InChIKeyLMRAQJMNILLNMI-UHFFFAOYSA-N
MW662.02 g/mol
LogP5.23
Rot. Bonds18

About 6-[[4-[(4-amino-2-methylbutan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]hexan-1-ol

6-[[4-[(4-amino-2-methylbutan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]hexan-1-ol (PubChem CID 70450440) has the molecular formula C36H71N9O2 and a molecular weight of 662.02 g/mol. Its IUPAC name is 6-[[4-[(4-amino-2-methylbutan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[4-[(4-amino-2-methylbutan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]hexan-1-ol
PubChem CID70450440
Molecular FormulaC36H71N9O2
Molecular Weight662.02 g/mol
Exact Mass661.57
IUPAC Name6-[[4-[(4-amino-2-methylbutan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]hexan-1-ol
SMILESCOCCCN(c1nc(NCCCCCCO)nc(N(C2CC(C)(C)NC(C)(C)C2)C(C)(C)CCN)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C36H71N9O2/c1-32(2)23-27(24-33(3,4)42-32)44(20-16-22-47-11)30-39-29(38-19-14-12-13-15-21-46)40-31(41-30)45(36(9,10)17-18-37)28-25-34(5,6)43-35(7,8)26-28/h27-28,42-43,46H,12-26,37H2,1-11H3,(H,38,39,40,41)
InChIKeyLMRAQJMNILLNMI-UHFFFAOYSA-N
XLogP5.23
TPSA136.72 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500662.02
LogP ≤ 55.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 6-[[4-[(4-amino-2-methylbutan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]hexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(4-amino-2-methylbutan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]hexan-1-ol?
The IUPAC name of 6-[[4-[(4-amino-2-methylbutan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]hexan-1-ol (CID 70450440) is 6-[[4-[(4-amino-2-methylbutan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[4-[(4-amino-2-methylbutan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]hexan-1-ol?
The canonical SMILES for 6-[[4-[(4-amino-2-methylbutan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]hexan-1-ol is COCCCN(c1nc(NCCCCCCO)nc(N(C2CC(C)(C)NC(C)(C)C2)C(C)(C)CCN)n1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 6-[[4-[(4-amino-2-methylbutan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]hexan-1-ol?
The InChIKey is LMRAQJMNILLNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H71N9O2/c1-32(2)23-27(24-33(3,4)42-32)44(20-16-22-47-11)30-39-29(38-19-14-12-13-15-21-46)40-31(41-30)45(36(9,10)17-18-37)28-25-34(5,6)43-35(7,8)26-28/h27-28,42-43,46H,12-26,37H2,1-11H3,(H,38,39,40,41).
What are the key properties of 6-[[4-[(4-amino-2-methylbutan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]hexan-1-ol?
6-[[4-[(4-amino-2-methylbutan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]hexan-1-ol has a molecular weight of 662.02 g/mol, XLogP of 5.23, 18 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(4-amino-2-methylbutan-2-yl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]hexan-1-ol is sourced from PubChem (CID 70450440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).