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-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine

C44H82N8O2 — CID 18716457

IUPAC2-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-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1nc(NC(C)(C)CC(C)(C)C)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/C44H82N8O2/c1-32-45-37(48-40(5,6)30-39(2,3)4)47-38(46-32)50(34-28-43(11,12)52(44(13,14)29-34)54-36-24-20-17-21-25-36)31-49(15)33-26-41(7,8)51(42(9,10)27-33)53-35-22-18-16-19-23-35/h33-36H,16-31H2,1-15H3,(H,45,46,47,48)
InChIKeyDVDDJTCLUNRDFE-UHFFFAOYSA-N
MW755.19 g/mol
LogP10.07
Rot. Bonds12

About 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-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine

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-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 18716457) has the molecular formula C44H82N8O2 and a molecular weight of 755.19 g/mol. Its IUPAC name is 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-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-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-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID18716457
Molecular FormulaC44H82N8O2
Molecular Weight755.19 g/mol
Exact Mass754.66
IUPAC Name2-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-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1nc(NC(C)(C)CC(C)(C)C)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/C44H82N8O2/c1-32-45-37(48-40(5,6)30-39(2,3)4)47-38(46-32)50(34-28-43(11,12)52(44(13,14)29-34)54-36-24-20-17-21-25-36)31-49(15)33-26-41(7,8)51(42(9,10)27-33)53-35-22-18-16-19-23-35/h33-36H,16-31H2,1-15H3,(H,45,46,47,48)
InChIKeyDVDDJTCLUNRDFE-UHFFFAOYSA-N
XLogP10.07
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.19
LogP ≤ 510.07
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 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-4-N-(2,4,4-trimethylpentan-2-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-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 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-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine (CID 18716457) is 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-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 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-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 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-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine is Cc1nc(NC(C)(C)CC(C)(C)C)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 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-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DVDDJTCLUNRDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H82N8O2/c1-32-45-37(48-40(5,6)30-39(2,3)4)47-38(46-32)50(34-28-43(11,12)52(44(13,14)29-34)54-36-24-20-17-21-25-36)31-49(15)33-26-41(7,8)51(42(9,10)27-33)53-35-22-18-16-19-23-35/h33-36H,16-31H2,1-15H3,(H,45,46,47,48).
What are the key properties of 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-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
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-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 755.19 g/mol, XLogP of 10.07, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18716457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).