2-N,4-N-dibutyl-6-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

C44H84N8O — CID 19991762

IUPAC2-N,4-N-dibutyl-6-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCCCOC1CC(C)(C)N(c2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)n2)C(C)(C)C1
InChIInChI=1S/C44H84N8O/c1-16-19-22-23-26-53-35-31-43(12,13)52(44(14,15)32-35)38-46-36(50(24-20-17-2)33-27-39(4,5)48-40(6,7)28-33)45-37(47-38)51(25-21-18-3)34-29-41(8,9)49-42(10,11)30-34/h33-35,48-49H,16-32H2,1-15H3
InChIKeyNMDHXIYCIOYOSQ-UHFFFAOYSA-N
MW741.21 g/mol
LogP9.83
Rot. Bonds17

About 2-N,4-N-dibutyl-6-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

2-N,4-N-dibutyl-6-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 19991762) has the molecular formula C44H84N8O and a molecular weight of 741.21 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-6-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dibutyl-6-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID19991762
Molecular FormulaC44H84N8O
Molecular Weight741.21 g/mol
Exact Mass740.68
IUPAC Name2-N,4-N-dibutyl-6-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCCCOC1CC(C)(C)N(c2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)n2)C(C)(C)C1
InChIInChI=1S/C44H84N8O/c1-16-19-22-23-26-53-35-31-43(12,13)52(44(14,15)32-35)38-46-36(50(24-20-17-2)33-27-39(4,5)48-40(6,7)28-33)45-37(47-38)51(25-21-18-3)34-29-41(8,9)49-42(10,11)30-34/h33-35,48-49H,16-32H2,1-15H3
InChIKeyNMDHXIYCIOYOSQ-UHFFFAOYSA-N
XLogP9.83
TPSA81.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.21
LogP ≤ 59.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-N,4-N-dibutyl-6-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibutyl-6-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dibutyl-6-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 19991762) is 2-N,4-N-dibutyl-6-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dibutyl-6-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dibutyl-6-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is CCCCCCOC1CC(C)(C)N(c2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)n2)C(C)(C)C1.
What is the InChIKey of 2-N,4-N-dibutyl-6-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NMDHXIYCIOYOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H84N8O/c1-16-19-22-23-26-53-35-31-43(12,13)52(44(14,15)32-35)38-46-36(50(24-20-17-2)33-27-39(4,5)48-40(6,7)28-33)45-37(47-38)51(25-21-18-3)34-29-41(8,9)49-42(10,11)30-34/h33-35,48-49H,16-32H2,1-15H3.
What are the key properties of 2-N,4-N-dibutyl-6-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-dibutyl-6-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 741.21 g/mol, XLogP of 9.83, 17 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibutyl-6-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19991762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).