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

C41H75N7O2 — CID 19768339

IUPAC2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCN(c1ncnc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C41H75N7O2/c1-11-13-25-45(32-27-38(3,4)47(39(5,6)28-32)49-34-21-17-15-18-22-34)36-42-31-43-37(44-36)46(26-14-12-2)33-29-40(7,8)48(41(9,10)30-33)50-35-23-19-16-20-24-35/h31-35H,11-30H2,1-10H3
InChIKeyKQUAROHJUNCTOD-UHFFFAOYSA-N
MW698.10 g/mol
LogP9.66
Rot. Bonds14

About 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-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)-1,3,5-triazine-2,4-diamine (PubChem CID 19768339) has the molecular formula C41H75N7O2 and a molecular weight of 698.10 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)-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)-1,3,5-triazine-2,4-diamine
PubChem CID19768339
Molecular FormulaC41H75N7O2
Molecular Weight698.10 g/mol
Exact Mass697.60
IUPAC Name2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCN(c1ncnc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C41H75N7O2/c1-11-13-25-45(32-27-38(3,4)47(39(5,6)28-32)49-34-21-17-15-18-22-34)36-42-31-43-37(44-36)46(26-14-12-2)33-29-40(7,8)48(41(9,10)30-33)50-35-23-19-16-20-24-35/h31-35H,11-30H2,1-10H3
InChIKeyKQUAROHJUNCTOD-UHFFFAOYSA-N
XLogP9.66
TPSA70.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.10
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-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,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-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)-1,3,5-triazine-2,4-diamine (CID 19768339) is 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-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)-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)-1,3,5-triazine-2,4-diamine is CCCCN(c1ncnc(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)-1,3,5-triazine-2,4-diamine?
The InChIKey is KQUAROHJUNCTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H75N7O2/c1-11-13-25-45(32-27-38(3,4)47(39(5,6)28-32)49-34-21-17-15-18-22-34)36-42-31-43-37(44-36)46(26-14-12-2)33-29-40(7,8)48(41(9,10)30-33)50-35-23-19-16-20-24-35/h31-35H,11-30H2,1-10H3.
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)-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)-1,3,5-triazine-2,4-diamine has a molecular weight of 698.10 g/mol, XLogP of 9.66, 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)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19768339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).