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

C30H58N8 — CID 134224784

IUPAC2-N,4-N-dibutyl-6-N-methyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(1,2,2-trimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(NC)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CCN(C)C(C)(C)C1
InChIInChI=1S/C30H58N8/c1-12-14-17-37(23-16-19-35(10)28(3,4)20-23)26-32-25(31-9)33-27(34-26)38(18-15-13-2)24-21-29(5,6)36(11)30(7,8)22-24/h23-24H,12-22H2,1-11H3,(H,31,32,33,34)
InChIKeyANKVTKKTZCRPPO-UHFFFAOYSA-N
MW530.85 g/mol
LogP5.65
Rot. Bonds11

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

2-N,4-N-dibutyl-6-N-methyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(1,2,2-trimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 134224784) 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-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(1,2,2-trimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-dibutyl-6-N-methyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(1,2,2-trimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID134224784
Molecular FormulaC30H58N8
Molecular Weight530.85 g/mol
Exact Mass530.48
IUPAC Name2-N,4-N-dibutyl-6-N-methyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(1,2,2-trimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(NC)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CCN(C)C(C)(C)C1
InChIInChI=1S/C30H58N8/c1-12-14-17-37(23-16-19-35(10)28(3,4)20-23)26-32-25(31-9)33-27(34-26)38(18-15-13-2)24-21-29(5,6)36(11)30(7,8)22-24/h23-24H,12-22H2,1-11H3,(H,31,32,33,34)
InChIKeyANKVTKKTZCRPPO-UHFFFAOYSA-N
XLogP5.65
TPSA63.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.85
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-N,4-N-dibutyl-6-N-methyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(1,2,2-trimethylpiperidin-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-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(1,2,2-trimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-dibutyl-6-N-methyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(1,2,2-trimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 134224784) is 2-N,4-N-dibutyl-6-N-methyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(1,2,2-trimethylpiperidin-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-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(1,2,2-trimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-dibutyl-6-N-methyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(1,2,2-trimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCCN(c1nc(NC)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CCN(C)C(C)(C)C1.
What is the InChIKey of 2-N,4-N-dibutyl-6-N-methyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(1,2,2-trimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ANKVTKKTZCRPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58N8/c1-12-14-17-37(23-16-19-35(10)28(3,4)20-23)26-32-25(31-9)33-27(34-26)38(18-15-13-2)24-21-29(5,6)36(11)30(7,8)22-24/h23-24H,12-22H2,1-11H3,(H,31,32,33,34).
What are the key properties of 2-N,4-N-dibutyl-6-N-methyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(1,2,2-trimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-dibutyl-6-N-methyl-2-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(1,2,2-trimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 530.85 g/mol, XLogP of 5.65, 11 rotatable bonds, 1 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-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-N-(1,2,2-trimethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 134224784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).