3,4-dihydroisoquinolin-2-ium-2-ylmethyl(trimethyl)silane

C13H20NSi+ — CID 10666663

IUPAC3,4-dihydroisoquinolin-2-ium-2-ylmethyl(trimethyl)silane
SMILESC[Si](C)(C)C[N+]1=Cc2ccccc2CC1
InChIInChI=1S/C13H20NSi/c1-15(2,3)11-14-9-8-12-6-4-5-7-13(12)10-14/h4-7,10H,8-9,11H2,1-3H3/q+1
InChIKeyWCGQFODMSHYAKM-UHFFFAOYSA-N
MW218.40 g/mol
LogP2.55
Rot. Bonds2

About 3,4-dihydroisoquinolin-2-ium-2-ylmethyl(trimethyl)silane

3,4-dihydroisoquinolin-2-ium-2-ylmethyl(trimethyl)silane (PubChem CID 10666663) has the molecular formula C13H20NSi+ and a molecular weight of 218.40 g/mol. Its IUPAC name is 3,4-dihydroisoquinolin-2-ium-2-ylmethyl(trimethyl)silane.

Molecular Properties

Compound Name3,4-dihydroisoquinolin-2-ium-2-ylmethyl(trimethyl)silane
PubChem CID10666663
Molecular FormulaC13H20NSi+
Molecular Weight218.40 g/mol
Exact Mass218.14
IUPAC Name3,4-dihydroisoquinolin-2-ium-2-ylmethyl(trimethyl)silane
SMILESC[Si](C)(C)C[N+]1=Cc2ccccc2CC1
InChIInChI=1S/C13H20NSi/c1-15(2,3)11-14-9-8-12-6-4-5-7-13(12)10-14/h4-7,10H,8-9,11H2,1-3H3/q+1
InChIKeyWCGQFODMSHYAKM-UHFFFAOYSA-N
XLogP2.55
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.40
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3,4-Dihydroisoquinoline
CID 76705
1-Methyl-3,4-dihydroisoquinoline
CID 231502
Isoquinoline, 3,4-dihydro-, 2-oxide
CID 141110
Isoquinolinium, 3,4-dihydro-1,2,3,3-tetramethyl-, iodide
CID 3078228
2-Methyl-3,4-dihydroisoquinolin-2-ium;iodide
CID 12317147
2-Methyl-3,4-dihydro-isoquinolinium; iodide
CID 418350
6-Fluoro-3,4-dihydroisoquinoline
CID 19748163
8-Fluoro-3,4-dihydroisoquinoline
CID 129862247
7-Methyl-3,4-dihydroisoquinoline
CID 19748150
(3R)-6-fluoro-3-methyl-3,4-dihydroisoquinoline
CID 135043045
(3S,4R)-2,3-dimethyl-4-phenyl-3,4-dihydroisoquinolin-2-ium iodide
CID 135007199
4'H-spiro[cyclohexane-1,3'-isoquinoline]
CID 4137907

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroisoquinolin-2-ium-2-ylmethyl(trimethyl)silane?
The IUPAC name of 3,4-dihydroisoquinolin-2-ium-2-ylmethyl(trimethyl)silane (CID 10666663) is 3,4-dihydroisoquinolin-2-ium-2-ylmethyl(trimethyl)silane.
What is the SMILES notation for 3,4-dihydroisoquinolin-2-ium-2-ylmethyl(trimethyl)silane?
The canonical SMILES for 3,4-dihydroisoquinolin-2-ium-2-ylmethyl(trimethyl)silane is C[Si](C)(C)C[N+]1=Cc2ccccc2CC1.
What is the InChIKey of 3,4-dihydroisoquinolin-2-ium-2-ylmethyl(trimethyl)silane?
The InChIKey is WCGQFODMSHYAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20NSi/c1-15(2,3)11-14-9-8-12-6-4-5-7-13(12)10-14/h4-7,10H,8-9,11H2,1-3H3/q+1.
What are the key properties of 3,4-dihydroisoquinolin-2-ium-2-ylmethyl(trimethyl)silane?
3,4-dihydroisoquinolin-2-ium-2-ylmethyl(trimethyl)silane has a molecular weight of 218.40 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroisoquinolin-2-ium-2-ylmethyl(trimethyl)silane is sourced from PubChem (CID 10666663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).