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

C42H77N7O2 — CID 20583585

IUPAC2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(c1nc(C)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C42H77N7O2/c1-12-14-26-46(33-28-39(4,5)48(40(6,7)29-33)50-35-22-18-16-19-23-35)37-43-32(3)44-38(45-37)47(27-15-13-2)34-30-41(8,9)49(42(10,11)31-34)51-36-24-20-17-21-25-36/h33-36H,12-31H2,1-11H3
InChIKeyKGXZDIRMSSTAGI-UHFFFAOYSA-N
MW712.12 g/mol
LogP9.96
Rot. Bonds14

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

2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 20583585) has the molecular formula C42H77N7O2 and a molecular weight of 712.12 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-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID20583585
Molecular FormulaC42H77N7O2
Molecular Weight712.12 g/mol
Exact Mass711.61
IUPAC Name2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(c1nc(C)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C42H77N7O2/c1-12-14-26-46(33-28-39(4,5)48(40(6,7)29-33)50-35-22-18-16-19-23-35)37-43-32(3)44-38(45-37)47(27-15-13-2)34-30-41(8,9)49(42(10,11)31-34)51-36-24-20-17-21-25-36/h33-36H,12-31H2,1-11H3
InChIKeyKGXZDIRMSSTAGI-UHFFFAOYSA-N
XLogP9.96
TPSA70.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.12
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-methyl-1,3,5-triazine-2,4-diamine (CID 20583585) is 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-methyl-1,3,5-triazine-2,4-diamine.
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-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-methyl-1,3,5-triazine-2,4-diamine is CCCCN(c1nc(C)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-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is KGXZDIRMSSTAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H77N7O2/c1-12-14-26-46(33-28-39(4,5)48(40(6,7)29-33)50-35-22-18-16-19-23-35)37-43-32(3)44-38(45-37)47(27-15-13-2)34-30-41(8,9)49(42(10,11)31-34)51-36-24-20-17-21-25-36/h33-36H,12-31H2,1-11H3.
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-methyl-1,3,5-triazine-2,4-diamine?
2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 712.12 g/mol, XLogP of 9.96, 14 rotatable bonds, 0 hydrogen bond donors, and 9 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-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 20583585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).