trimethyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]silane

C14H24NSi+ — CID 10067134

IUPACtrimethyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]silane
SMILESC[N+]1(C[Si](C)(C)C)CCc2ccccc2C1
InChIInChI=1S/C14H24NSi/c1-15(12-16(2,3)4)10-9-13-7-5-6-8-14(13)11-15/h5-8H,9-12H2,1-4H3/q+1
InChIKeyAMESMMCBTJOSAN-UHFFFAOYSA-N
MW234.44 g/mol
LogP3.07
Rot. Bonds2

About trimethyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]silane

trimethyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]silane (PubChem CID 10067134) has the molecular formula C14H24NSi+ and a molecular weight of 234.44 g/mol. Its IUPAC name is trimethyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]silane.

Molecular Properties

Compound Nametrimethyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]silane
PubChem CID10067134
Molecular FormulaC14H24NSi+
Molecular Weight234.44 g/mol
Exact Mass234.17
IUPAC Nametrimethyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]silane
SMILESC[N+]1(C[Si](C)(C)C)CCc2ccccc2C1
InChIInChI=1S/C14H24NSi/c1-15(12-16(2,3)4)10-9-13-7-5-6-8-14(13)11-15/h5-8H,9-12H2,1-4H3/q+1
InChIKeyAMESMMCBTJOSAN-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.44
LogP ≤ 53.07
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'}

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Related Compounds

1,2,3,4-Tetrahydroisoquinoline
CID 7046
2-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 15362
3-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 568974
1-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 92214
(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 7462300
1-Benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline
CID 440630
1-Benzylpiperidine
CID 76190
2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline
CID 3057770
(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 7462302
2-Phenyl-2-(1-piperidinyl)propane
CID 210768
2-Phenethyl-1,2,3,4-tetrahydroisoquinoline
CID 436347
1-Benzyl-4-methylpiperidine
CID 3966943

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]silane?
The IUPAC name of trimethyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]silane (CID 10067134) is trimethyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]silane.
What is the SMILES notation for trimethyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]silane?
The canonical SMILES for trimethyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]silane is C[N+]1(C[Si](C)(C)C)CCc2ccccc2C1.
What is the InChIKey of trimethyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]silane?
The InChIKey is AMESMMCBTJOSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24NSi/c1-15(12-16(2,3)4)10-9-13-7-5-6-8-14(13)11-15/h5-8H,9-12H2,1-4H3/q+1.
What are the key properties of trimethyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]silane?
trimethyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]silane has a molecular weight of 234.44 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methyl]silane is sourced from PubChem (CID 10067134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).