1,2-diphenyl-1-(trimethylsilylmethyl)guanidine

C17H23N3Si — CID 102238229

IUPAC1,2-diphenyl-1-(trimethylsilylmethyl)guanidine
SMILESC[Si](C)(C)CN(/C(N)=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H23N3Si/c1-21(2,3)14-20(16-12-8-5-9-13-16)17(18)19-15-10-6-4-7-11-15/h4-13H,14H2,1-3H3,(H2,18,19)
InChIKeyLQXUXRIFEJHDIW-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.02
Rot. Bonds4

About 1,2-diphenyl-1-(trimethylsilylmethyl)guanidine

1,2-diphenyl-1-(trimethylsilylmethyl)guanidine (PubChem CID 102238229) has the molecular formula C17H23N3Si and a molecular weight of 297.48 g/mol. Its IUPAC name is 1,2-diphenyl-1-(trimethylsilylmethyl)guanidine.

Molecular Properties

Compound Name1,2-diphenyl-1-(trimethylsilylmethyl)guanidine
PubChem CID102238229
Molecular FormulaC17H23N3Si
Molecular Weight297.48 g/mol
Exact Mass297.17
IUPAC Name1,2-diphenyl-1-(trimethylsilylmethyl)guanidine
SMILESC[Si](C)(C)CN(/C(N)=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H23N3Si/c1-21(2,3)14-20(16-12-8-5-9-13-16)17(18)19-15-10-6-4-7-11-15/h4-13H,14H2,1-3H3,(H2,18,19)
InChIKeyLQXUXRIFEJHDIW-UHFFFAOYSA-N
XLogP4.02
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-1-(trimethylsilylmethyl)guanidine?
The IUPAC name of 1,2-diphenyl-1-(trimethylsilylmethyl)guanidine (CID 102238229) is 1,2-diphenyl-1-(trimethylsilylmethyl)guanidine.
What is the SMILES notation for 1,2-diphenyl-1-(trimethylsilylmethyl)guanidine?
The canonical SMILES for 1,2-diphenyl-1-(trimethylsilylmethyl)guanidine is C[Si](C)(C)CN(/C(N)=N/c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-diphenyl-1-(trimethylsilylmethyl)guanidine?
The InChIKey is LQXUXRIFEJHDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3Si/c1-21(2,3)14-20(16-12-8-5-9-13-16)17(18)19-15-10-6-4-7-11-15/h4-13H,14H2,1-3H3,(H2,18,19).
What are the key properties of 1,2-diphenyl-1-(trimethylsilylmethyl)guanidine?
1,2-diphenyl-1-(trimethylsilylmethyl)guanidine has a molecular weight of 297.48 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-1-(trimethylsilylmethyl)guanidine is sourced from PubChem (CID 102238229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).