1-chloro-2-(3-trimethoxysilylpropyl)guanidine

C7H18ClN3O3Si — CID 22719274

IUPAC1-chloro-2-(3-trimethoxysilylpropyl)guanidine
SMILESCO[Si](CCC/N=C(\N)NCl)(OC)OC
InChIInChI=1S/C7H18ClN3O3Si/c1-12-15(13-2,14-3)6-4-5-10-7(9)11-8/h4-6H2,1-3H3,(H3,9,10,11)
InChIKeyXCFKKEAVFQENPU-UHFFFAOYSA-N
MW255.78 g/mol
LogP0.31
Rot. Bonds7

About 1-chloro-2-(3-trimethoxysilylpropyl)guanidine

1-chloro-2-(3-trimethoxysilylpropyl)guanidine (PubChem CID 22719274) has the molecular formula C7H18ClN3O3Si and a molecular weight of 255.78 g/mol. Its IUPAC name is 1-chloro-2-(3-trimethoxysilylpropyl)guanidine.

Molecular Properties

Compound Name1-chloro-2-(3-trimethoxysilylpropyl)guanidine
PubChem CID22719274
Molecular FormulaC7H18ClN3O3Si
Molecular Weight255.78 g/mol
Exact Mass255.08
IUPAC Name1-chloro-2-(3-trimethoxysilylpropyl)guanidine
SMILESCO[Si](CCC/N=C(\N)NCl)(OC)OC
InChIInChI=1S/C7H18ClN3O3Si/c1-12-15(13-2,14-3)6-4-5-10-7(9)11-8/h4-6H2,1-3H3,(H3,9,10,11)
InChIKeyXCFKKEAVFQENPU-UHFFFAOYSA-N
XLogP0.31
TPSA78.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.78
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(3-trimethoxysilylpropyl)guanidine?
The IUPAC name of 1-chloro-2-(3-trimethoxysilylpropyl)guanidine (CID 22719274) is 1-chloro-2-(3-trimethoxysilylpropyl)guanidine.
What is the SMILES notation for 1-chloro-2-(3-trimethoxysilylpropyl)guanidine?
The canonical SMILES for 1-chloro-2-(3-trimethoxysilylpropyl)guanidine is CO[Si](CCC/N=C(\N)NCl)(OC)OC.
What is the InChIKey of 1-chloro-2-(3-trimethoxysilylpropyl)guanidine?
The InChIKey is XCFKKEAVFQENPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18ClN3O3Si/c1-12-15(13-2,14-3)6-4-5-10-7(9)11-8/h4-6H2,1-3H3,(H3,9,10,11).
What are the key properties of 1-chloro-2-(3-trimethoxysilylpropyl)guanidine?
1-chloro-2-(3-trimethoxysilylpropyl)guanidine has a molecular weight of 255.78 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(3-trimethoxysilylpropyl)guanidine is sourced from PubChem (CID 22719274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).