6-(oxiran-2-ylmethoxy)-2-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine

C94H176N14O8 — CID 19090227

IUPAC6-(oxiran-2-ylmethoxy)-2-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCON1C(C)(C)CC(C(CCC)Nc2nc(OCC3CO3)nc(N(CCCCCCN(c3nc(NC(CCC)C4CC(C)(C)N(OCCCCCCCC)C(C)(C)C4)nc(OCC4CO4)n3)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C94H176N14O8/c1-23-29-33-37-43-49-57-113-105-87(7,8)61-73(62-88(105,9)10)79(53-27-5)95-81-97-83(101-85(99-81)111-71-77-69-109-77)103(75-65-91(15,16)107(92(17,18)66-75)115-59-51-45-39-35-31-25-3)55-47-41-42-48-56-104(76-67-93(19,20)108(94(21,22)68-76)116-60-52-46-40-36-32-26-4)84-98-82(100-86(102-84)112-72-78-70-110-78)96-80(54-28-6)74-63-89(11,12)106(90(13,14)64-74)114-58-50-44-38-34-30-24-2/h73-80H,23-72H2,1-22H3,(H,95,97,99,101)(H,96,98,100,102)
InChIKeyYLROIZSQVJBWNF-UHFFFAOYSA-N
MW1630.53 g/mol
LogP22.40
Rot. Bonds59

About 6-(oxiran-2-ylmethoxy)-2-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine

6-(oxiran-2-ylmethoxy)-2-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine (PubChem CID 19090227) has the molecular formula C94H176N14O8 and a molecular weight of 1630.53 g/mol. Its IUPAC name is 6-(oxiran-2-ylmethoxy)-2-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(oxiran-2-ylmethoxy)-2-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
PubChem CID19090227
Molecular FormulaC94H176N14O8
Molecular Weight1630.53 g/mol
Exact Mass1629.38
IUPAC Name6-(oxiran-2-ylmethoxy)-2-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCON1C(C)(C)CC(C(CCC)Nc2nc(OCC3CO3)nc(N(CCCCCCN(c3nc(NC(CCC)C4CC(C)(C)N(OCCCCCCCC)C(C)(C)C4)nc(OCC4CO4)n3)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C94H176N14O8/c1-23-29-33-37-43-49-57-113-105-87(7,8)61-73(62-88(105,9)10)79(53-27-5)95-81-97-83(101-85(99-81)111-71-77-69-109-77)103(75-65-91(15,16)107(92(17,18)66-75)115-59-51-45-39-35-31-25-3)55-47-41-42-48-56-104(76-67-93(19,20)108(94(21,22)68-76)116-60-52-46-40-36-32-26-4)84-98-82(100-86(102-84)112-72-78-70-110-78)96-80(54-28-6)74-63-89(11,12)106(90(13,14)64-74)114-58-50-44-38-34-30-24-2/h73-80H,23-72H2,1-22H3,(H,95,97,99,101)(H,96,98,100,102)
InChIKeyYLROIZSQVJBWNF-UHFFFAOYSA-N
XLogP22.40
TPSA201.28 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds59
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001630.53
LogP ≤ 522.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 6-(oxiran-2-ylmethoxy)-2-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(oxiran-2-ylmethoxy)-2-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(oxiran-2-ylmethoxy)-2-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine (CID 19090227) is 6-(oxiran-2-ylmethoxy)-2-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(oxiran-2-ylmethoxy)-2-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(oxiran-2-ylmethoxy)-2-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine is CCCCCCCCON1C(C)(C)CC(C(CCC)Nc2nc(OCC3CO3)nc(N(CCCCCCN(c3nc(NC(CCC)C4CC(C)(C)N(OCCCCCCCC)C(C)(C)C4)nc(OCC4CO4)n3)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)n2)CC1(C)C.
What is the InChIKey of 6-(oxiran-2-ylmethoxy)-2-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is YLROIZSQVJBWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H176N14O8/c1-23-29-33-37-43-49-57-113-105-87(7,8)61-73(62-88(105,9)10)79(53-27-5)95-81-97-83(101-85(99-81)111-71-77-69-109-77)103(75-65-91(15,16)107(92(17,18)66-75)115-59-51-45-39-35-31-25-3)55-47-41-42-48-56-104(76-67-93(19,20)108(94(21,22)68-76)116-60-52-46-40-36-32-26-4)84-98-82(100-86(102-84)112-72-78-70-110-78)96-80(54-28-6)74-63-89(11,12)106(90(13,14)64-74)114-58-50-44-38-34-30-24-2/h73-80H,23-72H2,1-22H3,(H,95,97,99,101)(H,96,98,100,102).
What are the key properties of 6-(oxiran-2-ylmethoxy)-2-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?
6-(oxiran-2-ylmethoxy)-2-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 1630.53 g/mol, XLogP of 22.40, 59 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxiran-2-ylmethoxy)-2-N-[6-[[4-(oxiran-2-ylmethoxy)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19090227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).