(E)-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-1-en-1-amine;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine

C39H69F6N7O3Si2 — CID 158510206

About (E)-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-1-en-1-amine;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine

(E)-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-1-en-1-amine;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine (PubChem CID 158510206) has the molecular formula C39H69F6N7O3Si2 and a molecular weight of 854.19 g/mol. Its IUPAC name is (E)-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-1-en-1-amine;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine.

Molecular Properties

• Compound Name: (E)-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-1-en-1-amine;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine
• PubChem CID: 158510206
• Molecular Formula: C39H69F6N7O3Si2
• Molecular Weight: 854.19 g/mol
• Exact Mass: 853.49
• IUPAC Name: (E)-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-1-en-1-amine;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine
• SMILES: C.CC(C)(C)[Si](C)(C)OCc1cccnc1-c1ccnn1CC(F)(F)F.CCO.CN(C)/C=C/Cc1ncccc1CO[Si](C)(C)C(C)(C)C.NNCC(F)(F)F
• InChI: InChI=1S/C17H24F3N3OSi.C17H30N2OSi.C2H5F3N2.C2H6O.CH4/c1-16(2,3)25(4,5)24-11-13-7-6-9-21-15(13)14-8-10-22-23(14)12-17(18,19)20;1-17(2,3)21(6,7)20-14-15-10-8-12-18-16(15)11-9-13-19(4)5;3-2(4,5)1-7-6;1-2-3;/h6-10H,11-12H2,1-5H3;8-10,12-13H,11,14H2,1-7H3;7H,1,6H2;3H,2H2,1H3;1H4/b;13-9+
• InChIKey: HKYLOKJICHFXES-OENMPOSSSA-N
• XLogP: 9.90
• TPSA: 123.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.19
LogP ≤ 5	9.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-1-en-1-amine;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine?

The IUPAC name of (E)-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-1-en-1-amine;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine (CID 158510206) is (E)-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-1-en-1-amine;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine.

What is the SMILES notation for (E)-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-1-en-1-amine;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine?

The canonical SMILES for (E)-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-1-en-1-amine;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine is C.CC(C)(C)[Si](C)(C)OCc1cccnc1-c1ccnn1CC(F)(F)F.CCO.CN(C)/C=C/Cc1ncccc1CO[Si](C)(C)C(C)(C)C.NNCC(F)(F)F.

What is the InChIKey of (E)-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-1-en-1-amine;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine?

The InChIKey is HKYLOKJICHFXES-OENMPOSSSA-N. The full InChI is InChI=1S/C17H24F3N3OSi.C17H30N2OSi.C2H5F3N2.C2H6O.CH4/c1-16(2,3)25(4,5)24-11-13-7-6-9-21-15(13)14-8-10-22-23(14)12-17(18,19)20;1-17(2,3)21(6,7)20-14-15-10-8-12-18-16(15)11-9-13-19(4)5;3-2(4,5)1-7-6;1-2-3;/h6-10H,11-12H2,1-5H3;8-10,12-13H,11,14H2,1-7H3;7H,1,6H2;3H,2H2,1H3;1H4/b;13-9+;;;.

What are the key properties of (E)-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-1-en-1-amine;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine?

(E)-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-1-en-1-amine;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine has a molecular weight of 854.19 g/mol, XLogP of 9.90, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-N,N-dimethylprop-1-en-1-amine;tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;ethanol;methane;2,2,2-trifluoroethylhydrazine is sourced from PubChem (CID 158510206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).