N,N'-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine

C40H72N8O3 — CID 18716473

IUPACN,N'-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine
SMILESCc1nc(N2CCOCC2)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/C40H72N8O3/c1-30-41-35(45-21-23-49-24-22-45)43-36(42-30)46(32-27-39(6,7)48(40(8,9)28-32)51-34-19-15-12-16-20-34)29-44(10)31-25-37(2,3)47(38(4,5)26-31)50-33-17-13-11-14-18-33/h31-34H,11-29H2,1-10H3
InChIKeyVAJYOLAKKLOSLV-UHFFFAOYSA-N
MW713.07 g/mol
LogP7.28
Rot. Bonds10

About N,N'-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine

N,N'-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine (PubChem CID 18716473) has the molecular formula C40H72N8O3 and a molecular weight of 713.07 g/mol. Its IUPAC name is N,N'-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine.

Molecular Properties

Compound NameN,N'-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine
PubChem CID18716473
Molecular FormulaC40H72N8O3
Molecular Weight713.07 g/mol
Exact Mass712.57
IUPAC NameN,N'-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine
SMILESCc1nc(N2CCOCC2)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/C40H72N8O3/c1-30-41-35(45-21-23-49-24-22-45)43-36(42-30)46(32-27-39(6,7)48(40(8,9)28-32)51-34-19-15-12-16-20-34)29-44(10)31-25-37(2,3)47(38(4,5)26-31)50-33-17-13-11-14-18-33/h31-34H,11-29H2,1-10H3
InChIKeyVAJYOLAKKLOSLV-UHFFFAOYSA-N
XLogP7.28
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500713.07
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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 N,N'-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine?
The IUPAC name of N,N'-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine (CID 18716473) is N,N'-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine.
What is the SMILES notation for N,N'-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine?
The canonical SMILES for N,N'-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine is Cc1nc(N2CCOCC2)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 N,N'-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine?
The InChIKey is VAJYOLAKKLOSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H72N8O3/c1-30-41-35(45-21-23-49-24-22-45)43-36(42-30)46(32-27-39(6,7)48(40(8,9)28-32)51-34-19-15-12-16-20-34)29-44(10)31-25-37(2,3)47(38(4,5)26-31)50-33-17-13-11-14-18-33/h31-34H,11-29H2,1-10H3.
What are the key properties of N,N'-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine?
N,N'-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine has a molecular weight of 713.07 g/mol, XLogP of 7.28, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methanediamine is sourced from PubChem (CID 18716473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).