4-N-butyl-2-N-(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)-4-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-2-N-[6-[(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine

C49H95N9O3 — CID 18468799

IUPAC4-N-butyl-2-N-(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)-4-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-2-N-[6-[(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine
SMILESCCCCN(c1ncnc(N(CCCCCCNC2CC(C)(C)N(OCCC)C(C)C2C)C2CC(C)(C)N(OCCC)C(C)C2C)n1)C1CC(C)(C)N(OCCC)C(C)(C)C1
InChIInChI=1S/C49H95N9O3/c1-17-21-27-54(41-32-48(13,14)58(61-31-20-4)49(15,16)33-41)44-51-36-52-45(53-44)55(43-35-47(11,12)57(60-30-19-3)40(8)38(43)6)28-25-23-22-24-26-50-42-34-46(9,10)56(59-29-18-2)39(7)37(42)5/h36-43,50H,17-35H2,1-16H3
InChIKeyMWDBDLAKCOHYJQ-UHFFFAOYSA-N
MW858.36 g/mol
LogP10.24
Rot. Bonds24

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

4-N-butyl-2-N-(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)-4-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-2-N-[6-[(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine (PubChem CID 18468799) has the molecular formula C49H95N9O3 and a molecular weight of 858.36 g/mol. Its IUPAC name is 4-N-butyl-2-N-(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)-4-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-2-N-[6-[(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-2-N-(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)-4-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-2-N-[6-[(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine
PubChem CID18468799
Molecular FormulaC49H95N9O3
Molecular Weight858.36 g/mol
Exact Mass857.76
IUPAC Name4-N-butyl-2-N-(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)-4-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-2-N-[6-[(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine
SMILESCCCCN(c1ncnc(N(CCCCCCNC2CC(C)(C)N(OCCC)C(C)C2C)C2CC(C)(C)N(OCCC)C(C)C2C)n1)C1CC(C)(C)N(OCCC)C(C)(C)C1
InChIInChI=1S/C49H95N9O3/c1-17-21-27-54(41-32-48(13,14)58(61-31-20-4)49(15,16)33-41)44-51-36-52-45(53-44)55(43-35-47(11,12)57(60-30-19-3)40(8)38(43)6)28-25-23-22-24-26-50-42-34-46(9,10)56(59-29-18-2)39(7)37(42)5/h36-43,50H,17-35H2,1-16H3
InChIKeyMWDBDLAKCOHYJQ-UHFFFAOYSA-N
XLogP10.24
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500858.36
LogP ≤ 510.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-N-butyl-2-N-(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)-4-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-2-N-[6-[(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

Chimassorb 2020
CID 69485870
6-fluoro-2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 90694902
2-N,4-N-dibutyl-6-N-[3-[[4-[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]-propylamino]propyl]-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 18716464
2-[[4-[6-[[4-(2-Hydroxyethylamino)-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexylamino]-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 19090177
6-chloro-4-N-[6-[[4-chloro-6-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
CID 19090182
2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
CID 19090184
6-isocyanato-2-N,4-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
CID 19090199
4-N-[6-[[4-amino-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
CID 19090201
2-N-[6-[[4-amino-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
CID 19090211
2-N,2-N-bis(methoxymethyl)-4-N,6-N-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
CID 19090212
2-N,4-N-bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
CID 19090213
2-N,6-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-2-N-[6-[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-[4-[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-1,3,5-triazine-2,4,6-triamine
CID 19090245

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)-4-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-2-N-[6-[(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-butyl-2-N-(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)-4-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-2-N-[6-[(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine (CID 18468799) is 4-N-butyl-2-N-(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)-4-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-2-N-[6-[(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-2-N-(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)-4-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-2-N-[6-[(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-butyl-2-N-(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)-4-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-2-N-[6-[(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine is CCCCN(c1ncnc(N(CCCCCCNC2CC(C)(C)N(OCCC)C(C)C2C)C2CC(C)(C)N(OCCC)C(C)C2C)n1)C1CC(C)(C)N(OCCC)C(C)(C)C1.
What is the InChIKey of 4-N-butyl-2-N-(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)-4-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-2-N-[6-[(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is MWDBDLAKCOHYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H95N9O3/c1-17-21-27-54(41-32-48(13,14)58(61-31-20-4)49(15,16)33-41)44-51-36-52-45(53-44)55(43-35-47(11,12)57(60-30-19-3)40(8)38(43)6)28-25-23-22-24-26-50-42-34-46(9,10)56(59-29-18-2)39(7)37(42)5/h36-43,50H,17-35H2,1-16H3.
What are the key properties of 4-N-butyl-2-N-(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)-4-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-2-N-[6-[(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine?
4-N-butyl-2-N-(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)-4-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-2-N-[6-[(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 858.36 g/mol, XLogP of 10.24, 24 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)-4-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-2-N-[6-[(2,2,5,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18468799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).