6-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-N,4-N-dibutyl-2-N-[1-(4-butylcyclohexyl)oxy-2,2,6,6-tetramethylpiperidin-4-yl]-4-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C51H99N11O2 — CID 148709203

IUPAC6-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-N,4-N-dibutyl-2-N-[1-(4-butylcyclohexyl)oxy-2,2,6,6-tetramethylpiperidin-4-yl]-4-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCC1CCC(ON2C(C)(C)CC(N(CCCC)c3nc(NCCNCCNCCN)nc(N(CCCC)C4CC(C)(C)N(OC5CCCCC5)C(C)(C)C4)n3)CC2(C)C)CC1
InChIInChI=1S/C51H99N11O2/c1-12-15-21-40-24-26-44(27-25-40)64-62-50(8,9)38-42(39-51(62,10)11)60(35-17-14-3)47-57-45(55-33-32-54-31-30-53-29-28-52)56-46(58-47)59(34-16-13-2)41-36-48(4,5)61(49(6,7)37-41)63-43-22-19-18-20-23-43/h40-44,53-54H,12-39,52H2,1-11H3,(H,55,56,57,58)
InChIKeyNWWVNHBULMHDDS-UHFFFAOYSA-N
MW898.43 g/mol
LogP9.62
Rot. Bonds26

About 6-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-N,4-N-dibutyl-2-N-[1-(4-butylcyclohexyl)oxy-2,2,6,6-tetramethylpiperidin-4-yl]-4-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

6-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-N,4-N-dibutyl-2-N-[1-(4-butylcyclohexyl)oxy-2,2,6,6-tetramethylpiperidin-4-yl]-4-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 148709203) has the molecular formula C51H99N11O2 and a molecular weight of 898.43 g/mol. Its IUPAC name is 6-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-N,4-N-dibutyl-2-N-[1-(4-butylcyclohexyl)oxy-2,2,6,6-tetramethylpiperidin-4-yl]-4-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-N,4-N-dibutyl-2-N-[1-(4-butylcyclohexyl)oxy-2,2,6,6-tetramethylpiperidin-4-yl]-4-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID148709203
Molecular FormulaC51H99N11O2
Molecular Weight898.43 g/mol
Exact Mass897.80
IUPAC Name6-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-N,4-N-dibutyl-2-N-[1-(4-butylcyclohexyl)oxy-2,2,6,6-tetramethylpiperidin-4-yl]-4-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCC1CCC(ON2C(C)(C)CC(N(CCCC)c3nc(NCCNCCNCCN)nc(N(CCCC)C4CC(C)(C)N(OC5CCCCC5)C(C)(C)C4)n3)CC2(C)C)CC1
InChIInChI=1S/C51H99N11O2/c1-12-15-21-40-24-26-44(27-25-40)64-62-50(8,9)38-42(39-51(62,10)11)60(35-17-14-3)47-57-45(55-33-32-54-31-30-53-29-28-52)56-46(58-47)59(34-16-13-2)41-36-48(4,5)61(49(6,7)37-41)63-43-22-19-18-20-23-43/h40-44,53-54H,12-39,52H2,1-11H3,(H,55,56,57,58)
InChIKeyNWWVNHBULMHDDS-UHFFFAOYSA-N
XLogP9.62
TPSA132.20 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds26
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500898.43
LogP ≤ 59.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 6-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-N,4-N-dibutyl-2-N-[1-(4-butylcyclohexyl)oxy-2,2,6,6-tetramethylpiperidin-4-yl]-4-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-N,4-N-dibutyl-2-N-[1-(4-butylcyclohexyl)oxy-2,2,6,6-tetramethylpiperidin-4-yl]-4-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-N,4-N-dibutyl-2-N-[1-(4-butylcyclohexyl)oxy-2,2,6,6-tetramethylpiperidin-4-yl]-4-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 148709203) is 6-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-N,4-N-dibutyl-2-N-[1-(4-butylcyclohexyl)oxy-2,2,6,6-tetramethylpiperidin-4-yl]-4-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-N,4-N-dibutyl-2-N-[1-(4-butylcyclohexyl)oxy-2,2,6,6-tetramethylpiperidin-4-yl]-4-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-N,4-N-dibutyl-2-N-[1-(4-butylcyclohexyl)oxy-2,2,6,6-tetramethylpiperidin-4-yl]-4-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCCC1CCC(ON2C(C)(C)CC(N(CCCC)c3nc(NCCNCCNCCN)nc(N(CCCC)C4CC(C)(C)N(OC5CCCCC5)C(C)(C)C4)n3)CC2(C)C)CC1.
What is the InChIKey of 6-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-N,4-N-dibutyl-2-N-[1-(4-butylcyclohexyl)oxy-2,2,6,6-tetramethylpiperidin-4-yl]-4-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NWWVNHBULMHDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H99N11O2/c1-12-15-21-40-24-26-44(27-25-40)64-62-50(8,9)38-42(39-51(62,10)11)60(35-17-14-3)47-57-45(55-33-32-54-31-30-53-29-28-52)56-46(58-47)59(34-16-13-2)41-36-48(4,5)61(49(6,7)37-41)63-43-22-19-18-20-23-43/h40-44,53-54H,12-39,52H2,1-11H3,(H,55,56,57,58).
What are the key properties of 6-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-N,4-N-dibutyl-2-N-[1-(4-butylcyclohexyl)oxy-2,2,6,6-tetramethylpiperidin-4-yl]-4-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
6-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-N,4-N-dibutyl-2-N-[1-(4-butylcyclohexyl)oxy-2,2,6,6-tetramethylpiperidin-4-yl]-4-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 898.43 g/mol, XLogP of 9.62, 26 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-N,4-N-dibutyl-2-N-[1-(4-butylcyclohexyl)oxy-2,2,6,6-tetramethylpiperidin-4-yl]-4-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 148709203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).