4-N-cyclohexyl-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine

C42H76N8O2 — CID 18716458

IUPAC4-N-cyclohexyl-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1nc(NC2CCCCC2)nc(N(CN(C)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1
InChIInChI=1S/C42H76N8O2/c1-31-43-37(45-32-20-14-11-15-21-32)46-38(44-31)48(34-28-41(6,7)50(42(8,9)29-34)52-36-24-18-13-19-25-36)30-47(10)33-26-39(2,3)49(40(4,5)27-33)51-35-22-16-12-17-23-35/h32-36H,11-30H2,1-10H3,(H,43,44,45,46)
InChIKeyHXEAUFHPULWQSE-UHFFFAOYSA-N
MW725.12 g/mol
LogP9.19
Rot. Bonds11

About 4-N-cyclohexyl-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine

4-N-cyclohexyl-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 18716458) has the molecular formula C42H76N8O2 and a molecular weight of 725.12 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID18716458
Molecular FormulaC42H76N8O2
Molecular Weight725.12 g/mol
Exact Mass724.61
IUPAC Name4-N-cyclohexyl-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1nc(NC2CCCCC2)nc(N(CN(C)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1
InChIInChI=1S/C42H76N8O2/c1-31-43-37(45-32-20-14-11-15-21-32)46-38(44-31)48(34-28-41(6,7)50(42(8,9)29-34)52-36-24-18-13-19-25-36)30-47(10)33-26-39(2,3)49(40(4,5)27-33)51-35-22-16-12-17-23-35/h32-36H,11-30H2,1-10H3,(H,43,44,45,46)
InChIKeyHXEAUFHPULWQSE-UHFFFAOYSA-N
XLogP9.19
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.12
LogP ≤ 59.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-N-cyclohexyl-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine (CID 18716458) is 4-N-cyclohexyl-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine is Cc1nc(NC2CCCCC2)nc(N(CN(C)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1.
What is the InChIKey of 4-N-cyclohexyl-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HXEAUFHPULWQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H76N8O2/c1-31-43-37(45-32-20-14-11-15-21-32)46-38(44-31)48(34-28-41(6,7)50(42(8,9)29-34)52-36-24-18-13-19-25-36)30-47(10)33-26-39(2,3)49(40(4,5)27-33)51-35-22-16-12-17-23-35/h32-36H,11-30H2,1-10H3,(H,43,44,45,46).
What are the key properties of 4-N-cyclohexyl-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine?
4-N-cyclohexyl-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 725.12 g/mol, XLogP of 9.19, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18716458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).