4-N,4-N,6-N,6-N-tetrabutyl-2-N-[4-[methyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]butyl]-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C48H95N9O2 — CID 121486204

IUPAC4-N,4-N,6-N,6-N-tetrabutyl-2-N-[4-[methyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]butyl]-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(CCCC)c1nc(N(CCCC)CCCC)nc(N(CCCCN(C)C2CC(C)(C)N(OCCC)C(C)(C)C2)C2CC(C)(C)N(OCCC)C(C)(C)C2)n1
InChIInChI=1S/C48H95N9O2/c1-16-22-29-53(30-23-17-2)42-49-43(54(31-24-18-3)32-25-19-4)51-44(50-42)55(41-38-47(11,12)57(59-35-21-6)48(13,14)39-41)33-27-26-28-52(15)40-36-45(7,8)56(58-34-20-5)46(9,10)37-40/h40-41H,16-39H2,1-15H3
InChIKeyDSPWWSUDBLZCDK-UHFFFAOYSA-N
MW830.35 g/mol
LogP10.93
Rot. Bonds28

About 4-N,4-N,6-N,6-N-tetrabutyl-2-N-[4-[methyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]butyl]-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

4-N,4-N,6-N,6-N-tetrabutyl-2-N-[4-[methyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]butyl]-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 121486204) has the molecular formula C48H95N9O2 and a molecular weight of 830.35 g/mol. Its IUPAC name is 4-N,4-N,6-N,6-N-tetrabutyl-2-N-[4-[methyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]butyl]-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,4-N,6-N,6-N-tetrabutyl-2-N-[4-[methyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]butyl]-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID121486204
Molecular FormulaC48H95N9O2
Molecular Weight830.35 g/mol
Exact Mass829.76
IUPAC Name4-N,4-N,6-N,6-N-tetrabutyl-2-N-[4-[methyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]butyl]-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(CCCC)c1nc(N(CCCC)CCCC)nc(N(CCCCN(C)C2CC(C)(C)N(OCCC)C(C)(C)C2)C2CC(C)(C)N(OCCC)C(C)(C)C2)n1
InChIInChI=1S/C48H95N9O2/c1-16-22-29-53(30-23-17-2)42-49-43(54(31-24-18-3)32-25-19-4)51-44(50-42)55(41-38-47(11,12)57(59-35-21-6)48(13,14)39-41)33-27-26-28-52(15)40-36-45(7,8)56(58-34-20-5)46(9,10)37-40/h40-41H,16-39H2,1-15H3
InChIKeyDSPWWSUDBLZCDK-UHFFFAOYSA-N
XLogP10.93
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500830.35
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-N,4-N,6-N,6-N-tetrabutyl-2-N-[4-[methyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]butyl]-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-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 4-N,4-N,6-N,6-N-tetrabutyl-2-N-[4-[methyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]butyl]-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,4-N,6-N,6-N-tetrabutyl-2-N-[4-[methyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]butyl]-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 121486204) is 4-N,4-N,6-N,6-N-tetrabutyl-2-N-[4-[methyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]butyl]-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,4-N,6-N,6-N-tetrabutyl-2-N-[4-[methyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]butyl]-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,4-N,6-N,6-N-tetrabutyl-2-N-[4-[methyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]butyl]-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCCN(CCCC)c1nc(N(CCCC)CCCC)nc(N(CCCCN(C)C2CC(C)(C)N(OCCC)C(C)(C)C2)C2CC(C)(C)N(OCCC)C(C)(C)C2)n1.
What is the InChIKey of 4-N,4-N,6-N,6-N-tetrabutyl-2-N-[4-[methyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]butyl]-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is DSPWWSUDBLZCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H95N9O2/c1-16-22-29-53(30-23-17-2)42-49-43(54(31-24-18-3)32-25-19-4)51-44(50-42)55(41-38-47(11,12)57(59-35-21-6)48(13,14)39-41)33-27-26-28-52(15)40-36-45(7,8)56(58-34-20-5)46(9,10)37-40/h40-41H,16-39H2,1-15H3.
What are the key properties of 4-N,4-N,6-N,6-N-tetrabutyl-2-N-[4-[methyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]butyl]-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
4-N,4-N,6-N,6-N-tetrabutyl-2-N-[4-[methyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]butyl]-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 830.35 g/mol, XLogP of 10.93, 28 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,6-N,6-N-tetrabutyl-2-N-[4-[methyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]butyl]-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 121486204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).