2-(3-benzylpyrrolidin-1-yl)ethoxy-tert-butyl-dimethylsilane

C19H33NOSi — CID 169005094

IUPAC2-(3-benzylpyrrolidin-1-yl)ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCN1CCC(Cc2ccccc2)C1
InChIInChI=1S/C19H33NOSi/c1-19(2,3)22(4,5)21-14-13-20-12-11-18(16-20)15-17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3
InChIKeyUXFPVOUNPHGLDN-UHFFFAOYSA-N
MW319.56 g/mol
LogP4.57
Rot. Bonds6

About 2-(3-benzylpyrrolidin-1-yl)ethoxy-tert-butyl-dimethylsilane

2-(3-benzylpyrrolidin-1-yl)ethoxy-tert-butyl-dimethylsilane (PubChem CID 169005094) has the molecular formula C19H33NOSi and a molecular weight of 319.56 g/mol. Its IUPAC name is 2-(3-benzylpyrrolidin-1-yl)ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-(3-benzylpyrrolidin-1-yl)ethoxy-tert-butyl-dimethylsilane
PubChem CID169005094
Molecular FormulaC19H33NOSi
Molecular Weight319.56 g/mol
Exact Mass319.23
IUPAC Name2-(3-benzylpyrrolidin-1-yl)ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCN1CCC(Cc2ccccc2)C1
InChIInChI=1S/C19H33NOSi/c1-19(2,3)22(4,5)21-14-13-20-12-11-18(16-20)15-17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3
InChIKeyUXFPVOUNPHGLDN-UHFFFAOYSA-N
XLogP4.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.56
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine
CID 67739617
3-benzyl-1-(3,3,3-trifluoropropyl)pyrrolidine
CID 90103620
3-benzyl-1-octylpyrrolidine
CID 58576677
3-(3-benzylpyrrolidin-1-yl)propanoic acid
CID 119138114
1-[2-[(3S)-3-benzylpyrrolidin-1-yl]ethyl]pyrazole
CID 124607305
tert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane
CID 69177639
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021
2-(1-benzylpiperidin-4-yl)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 10433334
3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine
CID 67647985
1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
CID 39350302
1-(2-benzhydryloxyethyl)-4-benzylpiperidine
CID 127026610

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylpyrrolidin-1-yl)ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-(3-benzylpyrrolidin-1-yl)ethoxy-tert-butyl-dimethylsilane (CID 169005094) is 2-(3-benzylpyrrolidin-1-yl)ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-(3-benzylpyrrolidin-1-yl)ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-(3-benzylpyrrolidin-1-yl)ethoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCN1CCC(Cc2ccccc2)C1.
What is the InChIKey of 2-(3-benzylpyrrolidin-1-yl)ethoxy-tert-butyl-dimethylsilane?
The InChIKey is UXFPVOUNPHGLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NOSi/c1-19(2,3)22(4,5)21-14-13-20-12-11-18(16-20)15-17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3.
What are the key properties of 2-(3-benzylpyrrolidin-1-yl)ethoxy-tert-butyl-dimethylsilane?
2-(3-benzylpyrrolidin-1-yl)ethoxy-tert-butyl-dimethylsilane has a molecular weight of 319.56 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylpyrrolidin-1-yl)ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 169005094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).