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

C32H60N8O2 — CID 18716471

IUPAC4-N-cyclohexyl-2-N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCON1C(C)(C)CC(N(C)CN(c2nc(C)nc(NC3CCCCC3)n2)C2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C32H60N8O2/c1-23-33-27(35-24-16-14-13-15-17-24)36-28(34-23)38(26-20-31(6,7)40(42-12)32(8,9)21-26)22-37(10)25-18-29(2,3)39(41-11)30(4,5)19-25/h24-26H,13-22H2,1-12H3,(H,33,34,35,36)
InChIKeyXTAFHJXGBBHDRH-UHFFFAOYSA-N
MW588.89 g/mol
LogP5.79
Rot. Bonds9

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

4-N-cyclohexyl-2-N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 18716471) has the molecular formula C32H60N8O2 and a molecular weight of 588.89 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-methoxy-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-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID18716471
Molecular FormulaC32H60N8O2
Molecular Weight588.89 g/mol
Exact Mass588.48
IUPAC Name4-N-cyclohexyl-2-N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCON1C(C)(C)CC(N(C)CN(c2nc(C)nc(NC3CCCCC3)n2)C2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C32H60N8O2/c1-23-33-27(35-24-16-14-13-15-17-24)36-28(34-23)38(26-20-31(6,7)40(42-12)32(8,9)21-26)22-37(10)25-18-29(2,3)39(41-11)30(4,5)19-25/h24-26H,13-22H2,1-12H3,(H,33,34,35,36)
InChIKeyXTAFHJXGBBHDRH-UHFFFAOYSA-N
XLogP5.79
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.89
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-methoxy-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-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine (CID 18716471) is 4-N-cyclohexyl-2-N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-methoxy-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-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-methoxy-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-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine is CON1C(C)(C)CC(N(C)CN(c2nc(C)nc(NC3CCCCC3)n2)C2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 4-N-cyclohexyl-2-N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XTAFHJXGBBHDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60N8O2/c1-23-33-27(35-24-16-14-13-15-17-24)36-28(34-23)38(26-20-31(6,7)40(42-12)32(8,9)21-26)22-37(10)25-18-29(2,3)39(41-11)30(4,5)19-25/h24-26H,13-22H2,1-12H3,(H,33,34,35,36).
What are the key properties of 4-N-cyclohexyl-2-N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine?
4-N-cyclohexyl-2-N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 588.89 g/mol, XLogP of 5.79, 9 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-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]methyl]-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18716471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).