2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine

C42H78N8O2 — CID 18716467

IUPAC2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(NC)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C42H78N8O2/c1-12-14-26-47(32-28-39(3,4)49(40(5,6)29-32)51-34-22-18-16-19-23-34)37-44-36(43-11)45-38(46-37)48(27-15-13-2)33-30-41(7,8)50(42(9,10)31-33)52-35-24-20-17-21-25-35/h32-35H,12-31H2,1-11H3,(H,43,44,45,46)
InChIKeyMVBBTJTUYHUTRS-UHFFFAOYSA-N
MW727.14 g/mol
LogP9.70
Rot. Bonds15

About 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine

2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 18716467) has the molecular formula C42H78N8O2 and a molecular weight of 727.14 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID18716467
Molecular FormulaC42H78N8O2
Molecular Weight727.14 g/mol
Exact Mass726.62
IUPAC Name2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(NC)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C42H78N8O2/c1-12-14-26-47(32-28-39(3,4)49(40(5,6)29-32)51-34-22-18-16-19-23-34)37-44-36(43-11)45-38(46-37)48(27-15-13-2)33-30-41(7,8)50(42(9,10)31-33)52-35-24-20-17-21-25-35/h32-35H,12-31H2,1-11H3,(H,43,44,45,46)
InChIKeyMVBBTJTUYHUTRS-UHFFFAOYSA-N
XLogP9.70
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.14
LogP ≤ 59.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 18716467) is 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine is CCCCN(c1nc(NC)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.
What is the InChIKey of 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is MVBBTJTUYHUTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H78N8O2/c1-12-14-26-47(32-28-39(3,4)49(40(5,6)29-32)51-34-22-18-16-19-23-34)37-44-36(43-11)45-38(46-37)48(27-15-13-2)33-30-41(7,8)50(42(9,10)31-33)52-35-24-20-17-21-25-35/h32-35H,12-31H2,1-11H3,(H,43,44,45,46).
What are the key properties of 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 727.14 g/mol, XLogP of 9.70, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 18716467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).