potassium;1-[3-[dimethoxy(methyl)silyl]propyl]-1-methyl-2,3-di(propan-2-yl)guanidine;1-methyl-1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2,3-di(propan-2-yl)guanidine;trimethyl(oxido)silane

C35H87KN6O5Si5 — CID 160833810

IUPACpotassium;1-[3-[dimethoxy(methyl)silyl]propyl]-1-methyl-2,3-di(propan-2-yl)guanidine;1-methyl-1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2,3-di(propan-2-yl)guanidine;trimethyl(oxido)silane
SMILESCC(C)/N=C(\NC(C)C)N(C)CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.CO[Si](C)(CCCN(C)/C(=N/C(C)C)NC(C)C)OC.C[Si](C)(C)[O-].[K+]
InChIInChI=1S/C18H45N3O2Si3.C14H33N3O2Si.C3H9OSi.K/c1-16(2)19-18(20-17(3)4)21(5)14-13-15-26(12,22-24(6,7)8)23-25(9,10)11;1-12(2)15-14(16-13(3)4)17(5)10-9-11-20(8,18-6)19-7;1-5(2,3)4;/h16-17H,13-15H2,1-12H3,(H,19,20);12-13H,9-11H2,1-8H3,(H,15,16);1-3H3;/q;;-1;+1
InChIKeySHDNFJDQNULSDW-UHFFFAOYSA-N
MW851.65 g/mol
LogP4.47
Rot. Bonds18

About potassium;1-[3-[dimethoxy(methyl)silyl]propyl]-1-methyl-2,3-di(propan-2-yl)guanidine;1-methyl-1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2,3-di(propan-2-yl)guanidine;trimethyl(oxido)silane

potassium;1-[3-[dimethoxy(methyl)silyl]propyl]-1-methyl-2,3-di(propan-2-yl)guanidine;1-methyl-1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2,3-di(propan-2-yl)guanidine;trimethyl(oxido)silane (PubChem CID 160833810) has the molecular formula C35H87KN6O5Si5 and a molecular weight of 851.65 g/mol. Its IUPAC name is potassium;1-[3-[dimethoxy(methyl)silyl]propyl]-1-methyl-2,3-di(propan-2-yl)guanidine;1-methyl-1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2,3-di(propan-2-yl)guanidine;trimethyl(oxido)silane.

Molecular Properties

Compound Namepotassium;1-[3-[dimethoxy(methyl)silyl]propyl]-1-methyl-2,3-di(propan-2-yl)guanidine;1-methyl-1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2,3-di(propan-2-yl)guanidine;trimethyl(oxido)silane
PubChem CID160833810
Molecular FormulaC35H87KN6O5Si5
Molecular Weight851.65 g/mol
Exact Mass850.52
IUPAC Namepotassium;1-[3-[dimethoxy(methyl)silyl]propyl]-1-methyl-2,3-di(propan-2-yl)guanidine;1-methyl-1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2,3-di(propan-2-yl)guanidine;trimethyl(oxido)silane
SMILESCC(C)/N=C(\NC(C)C)N(C)CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.CO[Si](C)(CCCN(C)/C(=N/C(C)C)NC(C)C)OC.C[Si](C)(C)[O-].[K+]
InChIInChI=1S/C18H45N3O2Si3.C14H33N3O2Si.C3H9OSi.K/c1-16(2)19-18(20-17(3)4)21(5)14-13-15-26(12,22-24(6,7)8)23-25(9,10)11;1-12(2)15-14(16-13(3)4)17(5)10-9-11-20(8,18-6)19-7;1-5(2,3)4;/h16-17H,13-15H2,1-12H3,(H,19,20);12-13H,9-11H2,1-8H3,(H,15,16);1-3H3;/q;;-1;+1
InChIKeySHDNFJDQNULSDW-UHFFFAOYSA-N
XLogP4.47
TPSA115.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms52
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500851.65
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of potassium;1-[3-[dimethoxy(methyl)silyl]propyl]-1-methyl-2,3-di(propan-2-yl)guanidine;1-methyl-1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2,3-di(propan-2-yl)guanidine;trimethyl(oxido)silane?
The IUPAC name of potassium;1-[3-[dimethoxy(methyl)silyl]propyl]-1-methyl-2,3-di(propan-2-yl)guanidine;1-methyl-1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2,3-di(propan-2-yl)guanidine;trimethyl(oxido)silane (CID 160833810) is potassium;1-[3-[dimethoxy(methyl)silyl]propyl]-1-methyl-2,3-di(propan-2-yl)guanidine;1-methyl-1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2,3-di(propan-2-yl)guanidine;trimethyl(oxido)silane.
What is the SMILES notation for potassium;1-[3-[dimethoxy(methyl)silyl]propyl]-1-methyl-2,3-di(propan-2-yl)guanidine;1-methyl-1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2,3-di(propan-2-yl)guanidine;trimethyl(oxido)silane?
The canonical SMILES for potassium;1-[3-[dimethoxy(methyl)silyl]propyl]-1-methyl-2,3-di(propan-2-yl)guanidine;1-methyl-1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2,3-di(propan-2-yl)guanidine;trimethyl(oxido)silane is CC(C)/N=C(\NC(C)C)N(C)CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.CO[Si](C)(CCCN(C)/C(=N/C(C)C)NC(C)C)OC.C[Si](C)(C)[O-].[K+].
What is the InChIKey of potassium;1-[3-[dimethoxy(methyl)silyl]propyl]-1-methyl-2,3-di(propan-2-yl)guanidine;1-methyl-1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2,3-di(propan-2-yl)guanidine;trimethyl(oxido)silane?
The InChIKey is SHDNFJDQNULSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H45N3O2Si3.C14H33N3O2Si.C3H9OSi.K/c1-16(2)19-18(20-17(3)4)21(5)14-13-15-26(12,22-24(6,7)8)23-25(9,10)11;1-12(2)15-14(16-13(3)4)17(5)10-9-11-20(8,18-6)19-7;1-5(2,3)4;/h16-17H,13-15H2,1-12H3,(H,19,20);12-13H,9-11H2,1-8H3,(H,15,16);1-3H3;/q;;-1;+1.
What are the key properties of potassium;1-[3-[dimethoxy(methyl)silyl]propyl]-1-methyl-2,3-di(propan-2-yl)guanidine;1-methyl-1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2,3-di(propan-2-yl)guanidine;trimethyl(oxido)silane?
potassium;1-[3-[dimethoxy(methyl)silyl]propyl]-1-methyl-2,3-di(propan-2-yl)guanidine;1-methyl-1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2,3-di(propan-2-yl)guanidine;trimethyl(oxido)silane has a molecular weight of 851.65 g/mol, XLogP of 4.47, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1-[3-[dimethoxy(methyl)silyl]propyl]-1-methyl-2,3-di(propan-2-yl)guanidine;1-methyl-1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-2,3-di(propan-2-yl)guanidine;trimethyl(oxido)silane is sourced from PubChem (CID 160833810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).