N'-[6-[dimethoxy(methyl)silyl]hexyl]ethanimidamide;N'-(6-triethoxysilylhexyl)ethanimidamide

C25H58N4O5Si2 — CID 123955370

IUPACN'-[6-[dimethoxy(methyl)silyl]hexyl]ethanimidamide;N'-(6-triethoxysilylhexyl)ethanimidamide
SMILESCCO[Si](CCCCCC/N=C(\C)N)(OCC)OCC.CO[Si](C)(CCCCCC/N=C(\C)N)OC
InChIInChI=1S/C14H32N2O3Si.C11H26N2O2Si/c1-5-17-20(18-6-2,19-7-3)13-11-9-8-10-12-16-14(4)15;1-11(12)13-9-7-5-6-8-10-16(4,14-2)15-3/h5-13H2,1-4H3,(H2,15,16);5-10H2,1-4H3,(H2,12,13)
InChIKeyNQMIGZUBTFECCG-UHFFFAOYSA-N
MW550.93 g/mol
LogP5.26
Rot. Bonds22

About N'-[6-[dimethoxy(methyl)silyl]hexyl]ethanimidamide;N'-(6-triethoxysilylhexyl)ethanimidamide

N'-[6-[dimethoxy(methyl)silyl]hexyl]ethanimidamide;N'-(6-triethoxysilylhexyl)ethanimidamide (PubChem CID 123955370) has the molecular formula C25H58N4O5Si2 and a molecular weight of 550.93 g/mol. Its IUPAC name is N'-[6-[dimethoxy(methyl)silyl]hexyl]ethanimidamide;N'-(6-triethoxysilylhexyl)ethanimidamide.

Molecular Properties

Compound NameN'-[6-[dimethoxy(methyl)silyl]hexyl]ethanimidamide;N'-(6-triethoxysilylhexyl)ethanimidamide
PubChem CID123955370
Molecular FormulaC25H58N4O5Si2
Molecular Weight550.93 g/mol
Exact Mass550.39
IUPAC NameN'-[6-[dimethoxy(methyl)silyl]hexyl]ethanimidamide;N'-(6-triethoxysilylhexyl)ethanimidamide
SMILESCCO[Si](CCCCCC/N=C(\C)N)(OCC)OCC.CO[Si](C)(CCCCCC/N=C(\C)N)OC
InChIInChI=1S/C14H32N2O3Si.C11H26N2O2Si/c1-5-17-20(18-6-2,19-7-3)13-11-9-8-10-12-16-14(4)15;1-11(12)13-9-7-5-6-8-10-16(4,14-2)15-3/h5-13H2,1-4H3,(H2,15,16);5-10H2,1-4H3,(H2,12,13)
InChIKeyNQMIGZUBTFECCG-UHFFFAOYSA-N
XLogP5.26
TPSA122.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.93
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

What is the IUPAC name of N'-[6-[dimethoxy(methyl)silyl]hexyl]ethanimidamide;N'-(6-triethoxysilylhexyl)ethanimidamide?
The IUPAC name of N'-[6-[dimethoxy(methyl)silyl]hexyl]ethanimidamide;N'-(6-triethoxysilylhexyl)ethanimidamide (CID 123955370) is N'-[6-[dimethoxy(methyl)silyl]hexyl]ethanimidamide;N'-(6-triethoxysilylhexyl)ethanimidamide.
What is the SMILES notation for N'-[6-[dimethoxy(methyl)silyl]hexyl]ethanimidamide;N'-(6-triethoxysilylhexyl)ethanimidamide?
The canonical SMILES for N'-[6-[dimethoxy(methyl)silyl]hexyl]ethanimidamide;N'-(6-triethoxysilylhexyl)ethanimidamide is CCO[Si](CCCCCC/N=C(\C)N)(OCC)OCC.CO[Si](C)(CCCCCC/N=C(\C)N)OC.
What is the InChIKey of N'-[6-[dimethoxy(methyl)silyl]hexyl]ethanimidamide;N'-(6-triethoxysilylhexyl)ethanimidamide?
The InChIKey is NQMIGZUBTFECCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O3Si.C11H26N2O2Si/c1-5-17-20(18-6-2,19-7-3)13-11-9-8-10-12-16-14(4)15;1-11(12)13-9-7-5-6-8-10-16(4,14-2)15-3/h5-13H2,1-4H3,(H2,15,16);5-10H2,1-4H3,(H2,12,13).
What are the key properties of N'-[6-[dimethoxy(methyl)silyl]hexyl]ethanimidamide;N'-(6-triethoxysilylhexyl)ethanimidamide?
N'-[6-[dimethoxy(methyl)silyl]hexyl]ethanimidamide;N'-(6-triethoxysilylhexyl)ethanimidamide has a molecular weight of 550.93 g/mol, XLogP of 5.26, 22 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[dimethoxy(methyl)silyl]hexyl]ethanimidamide;N'-(6-triethoxysilylhexyl)ethanimidamide is sourced from PubChem (CID 123955370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).