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

C30H58N8 — CID 134224770

IUPAC2-N,4-N-dibutyl-6-N-methyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(NC)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C30H58N8/c1-12-14-16-37(22-18-27(3,4)35-28(5,6)19-22)25-32-24(31-11)33-26(34-25)38(17-15-13-2)23-20-29(7,8)36-30(9,10)21-23/h22-23,35-36H,12-21H2,1-11H3,(H,31,32,33,34)
InChIKeyYHRNTIWHTHIELY-UHFFFAOYSA-N
MW530.85 g/mol
LogP5.74
Rot. Bonds11

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

2-N,4-N-dibutyl-6-N-methyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 134224770) has the molecular formula C30H58N8 and a molecular weight of 530.85 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-6-N-methyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-dibutyl-6-N-methyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID134224770
Molecular FormulaC30H58N8
Molecular Weight530.85 g/mol
Exact Mass530.48
IUPAC Name2-N,4-N-dibutyl-6-N-methyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(NC)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C30H58N8/c1-12-14-16-37(22-18-27(3,4)35-28(5,6)19-22)25-32-24(31-11)33-26(34-25)38(17-15-13-2)23-20-29(7,8)36-30(9,10)21-23/h22-23,35-36H,12-21H2,1-11H3,(H,31,32,33,34)
InChIKeyYHRNTIWHTHIELY-UHFFFAOYSA-N
XLogP5.74
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.85
LogP ≤ 55.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibutyl-6-N-methyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-dibutyl-6-N-methyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 134224770) is 2-N,4-N-dibutyl-6-N-methyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-dibutyl-6-N-methyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-dibutyl-6-N-methyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCCN(c1nc(NC)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-N,4-N-dibutyl-6-N-methyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is YHRNTIWHTHIELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58N8/c1-12-14-16-37(22-18-27(3,4)35-28(5,6)19-22)25-32-24(31-11)33-26(34-25)38(17-15-13-2)23-20-29(7,8)36-30(9,10)21-23/h22-23,35-36H,12-21H2,1-11H3,(H,31,32,33,34).
What are the key properties of 2-N,4-N-dibutyl-6-N-methyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-dibutyl-6-N-methyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 530.85 g/mol, XLogP of 5.74, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibutyl-6-N-methyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 134224770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).