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

C45H89N9O2 — CID 19090171

IUPAC6-hydrazinyl-2-N,4-N-bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCON1C(C)(C)CC(C(CCC)Nc2nc(NN)nc(NC(CCC)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C45H89N9O2/c1-13-17-19-21-23-25-29-55-53-42(5,6)31-35(32-43(53,7)8)37(27-15-3)47-39-49-40(51-41(50-39)52-46)48-38(28-16-4)36-33-44(9,10)54(45(11,12)34-36)56-30-26-24-22-20-18-14-2/h35-38H,13-34,46H2,1-12H3,(H3,47,48,49,50,51,52)
InChIKeyINBPQYORGXETAU-UHFFFAOYSA-N
MW788.27 g/mol
LogP11.44
Rot. Bonds27

About 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

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 (PubChem CID 19090171) has the molecular formula C45H89N9O2 and a molecular weight of 788.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-hydrazinyl-2-N,4-N-bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
PubChem CID19090171
Molecular FormulaC45H89N9O2
Molecular Weight788.27 g/mol
Exact Mass787.71
IUPAC Name6-hydrazinyl-2-N,4-N-bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCON1C(C)(C)CC(C(CCC)Nc2nc(NN)nc(NC(CCC)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C45H89N9O2/c1-13-17-19-21-23-25-29-55-53-42(5,6)31-35(32-43(53,7)8)37(27-15-3)47-39-49-40(51-41(50-39)52-46)48-38(28-16-4)36-33-44(9,10)54(45(11,12)34-36)56-30-26-24-22-20-18-14-2/h35-38H,13-34,46H2,1-12H3,(H3,47,48,49,50,51,52)
InChIKeyINBPQYORGXETAU-UHFFFAOYSA-N
XLogP11.44
TPSA125.72 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds27
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500788.27
LogP ≤ 511.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCON1C(C)(C)CC(C(CCC)Nc2nc(NN)nc(NC(CCC)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)n2)CC1(C)C.
What is the InChIKey of 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?
The InChIKey is INBPQYORGXETAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H89N9O2/c1-13-17-19-21-23-25-29-55-53-42(5,6)31-35(32-43(53,7)8)37(27-15-3)47-39-49-40(51-41(50-39)52-46)48-38(28-16-4)36-33-44(9,10)54(45(11,12)34-36)56-30-26-24-22-20-18-14-2/h35-38H,13-34,46H2,1-12H3,(H3,47,48,49,50,51,52).
What are the key properties of 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?
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 has a molecular weight of 788.27 g/mol, XLogP of 11.44, 27 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 19090171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).