[(1S,2R)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl-trimethylsilane

C16H28NSi+ — CID 10249736

IUPAC[(1S,2R)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl-trimethylsilane
SMILESCC[C@H]1c2ccccc2CC[N@@+]1(C)C[Si](C)(C)C
InChIInChI=1S/C16H28NSi/c1-6-16-15-10-8-7-9-14(15)11-12-17(16,2)13-18(3,4)5/h7-10,16H,6,11-13H2,1-5H3/q+1/t16-,17-/m0/s1
InChIKeyDDFWGTAQGKBBAT-IRXDYDNUSA-N
MW262.49 g/mol
LogP4.02
Rot. Bonds3

About [(1S,2R)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl-trimethylsilane

[(1S,2R)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl-trimethylsilane (PubChem CID 10249736) has the molecular formula C16H28NSi+ and a molecular weight of 262.49 g/mol. Its IUPAC name is [(1S,2R)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl-trimethylsilane.

Molecular Properties

Compound Name[(1S,2R)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl-trimethylsilane
PubChem CID10249736
Molecular FormulaC16H28NSi+
Molecular Weight262.49 g/mol
Exact Mass262.20
IUPAC Name[(1S,2R)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl-trimethylsilane
SMILESCC[C@H]1c2ccccc2CC[N@@+]1(C)C[Si](C)(C)C
InChIInChI=1S/C16H28NSi/c1-6-16-15-10-8-7-9-14(15)11-12-17(16,2)13-18(3,4)5/h7-10,16H,6,11-13H2,1-5H3/q+1/t16-,17-/m0/s1
InChIKeyDDFWGTAQGKBBAT-IRXDYDNUSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.49
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [(1S,2R)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl-trimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

(1S,2S)-1-ethyl-2-methanidyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium
CID 10103975
(1S)-1-ethyl-2,2-dimethyl-1,3-dihydroisoindol-2-ium
CID 139197809
trimethyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]silane
CID 10067134
trimethyl-[[(1R,2R)-2-methyl-1-phenyl-1,3-dihydroisoindol-2-ium-2-yl]methyl]silane
CID 10387574
2-methyl-4,8b-dihydro-3H-oxazireno[3,2-a]isoquinolin-2-ium
CID 10830482
[(1S,2R)-1-(4-methoxyphenyl)-2-methyl-1,3-dihydroisoindol-2-ium-2-yl]methyl-trimethylsilane iodide
CID 10479067
1-ethyl-2,3-dihydro-1H-indene
CID 20971
7-methyl-6,8,9,13b-tetrahydro-5H-isoquinolino[1,2-a]isoquinolin-7-ium-3-ol
CID 11653122
(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 40527795
(1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 163236306
2-(2-methoxyethyl)-1-[2-[2-(2-methoxyethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]ethyl]-3,4-dihydroisoquinolin-2-ium
CID 129295163
5-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 66614248

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl-trimethylsilane?
The IUPAC name of [(1S,2R)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl-trimethylsilane (CID 10249736) is [(1S,2R)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl-trimethylsilane.
What is the SMILES notation for [(1S,2R)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl-trimethylsilane?
The canonical SMILES for [(1S,2R)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl-trimethylsilane is CC[C@H]1c2ccccc2CC[N@@+]1(C)C[Si](C)(C)C.
What is the InChIKey of [(1S,2R)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl-trimethylsilane?
The InChIKey is DDFWGTAQGKBBAT-IRXDYDNUSA-N. The full InChI is InChI=1S/C16H28NSi/c1-6-16-15-10-8-7-9-14(15)11-12-17(16,2)13-18(3,4)5/h7-10,16H,6,11-13H2,1-5H3/q+1/t16-,17-/m0/s1.
What are the key properties of [(1S,2R)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl-trimethylsilane?
[(1S,2R)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl-trimethylsilane has a molecular weight of 262.49 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]methyl-trimethylsilane is sourced from PubChem (CID 10249736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).