2-N,4-N-bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine

C45H88N8O2 — CID 19090213

IUPAC2-N,4-N-bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCON1C(C)(C)CC(C(CCC)Nc2nc(N)nc(NC(CCC)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C45H88N8O2/c1-13-17-19-21-23-25-29-54-52-42(5,6)31-35(32-43(52,7)8)37(27-15-3)47-40-49-39(46)50-41(51-40)48-38(28-16-4)36-33-44(9,10)53(45(11,12)34-36)55-30-26-24-22-20-18-14-2/h35-38H,13-34H2,1-12H3,(H4,46,47,48,49,50,51)
InChIKeyWQRFCQOJQLIRGX-UHFFFAOYSA-N
MW773.25 g/mol
LogP11.74
Rot. Bonds26

About 2-N,4-N-bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine

2-N,4-N-bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 19090213) has the molecular formula C45H88N8O2 and a molecular weight of 773.25 g/mol. Its IUPAC name is 2-N,4-N-bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID19090213
Molecular FormulaC45H88N8O2
Molecular Weight773.25 g/mol
Exact Mass772.70
IUPAC Name2-N,4-N-bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCON1C(C)(C)CC(C(CCC)Nc2nc(N)nc(NC(CCC)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C45H88N8O2/c1-13-17-19-21-23-25-29-54-52-42(5,6)31-35(32-43(52,7)8)37(27-15-3)47-40-49-39(46)50-41(51-40)48-38(28-16-4)36-33-44(9,10)53(45(11,12)34-36)55-30-26-24-22-20-18-14-2/h35-38H,13-34H2,1-12H3,(H4,46,47,48,49,50,51)
InChIKeyWQRFCQOJQLIRGX-UHFFFAOYSA-N
XLogP11.74
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.25
LogP ≤ 511.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-N,4-N-bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

2-N,4-N-dimethyl-6-octoxy-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 17977644
6-butoxy-2-N,4-N-bis[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 17977648
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
2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18716467
6-ethoxy-2-N,4-N-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
CID 19073311
6-hydrazinyl-2-N,4-N-bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
CID 19090171
2-[[4,6-Bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 19090174
1-[[4,6-Bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 19090176
2-[[4,6-Bis[1-(2,2,6,6-tetramethyl-1-octadecoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 19090178
2-N-(methoxymethyl)-6-N-[6-[[4-[methoxymethyl-(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]-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 19090181
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-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-isocyanato-1,3,5-triazine-2,4-diamine
CID 19090183

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 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) is 2-N,4-N-bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine is CCCCCCCCON1C(C)(C)CC(C(CCC)Nc2nc(N)nc(NC(CCC)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)n2)CC1(C)C.
What is the InChIKey of 2-N,4-N-bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is WQRFCQOJQLIRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H88N8O2/c1-13-17-19-21-23-25-29-54-52-42(5,6)31-35(32-43(52,7)8)37(27-15-3)47-40-49-39(46)50-41(51-40)48-38(28-16-4)36-33-44(9,10)53(45(11,12)34-36)55-30-26-24-22-20-18-14-2/h35-38H,13-34H2,1-12H3,(H4,46,47,48,49,50,51).
What are the key properties of 2-N,4-N-bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 773.25 g/mol, XLogP of 11.74, 26 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19090213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).