tert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane

C25H37NOSi — CID 69177639

IUPACtert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CN(Cc2ccccc2)CC1Cc1ccccc1
InChIInChI=1S/C25H37NOSi/c1-25(2,3)28(4,5)27-20-24-19-26(17-22-14-10-7-11-15-22)18-23(24)16-21-12-8-6-9-13-21/h6-15,23-24H,16-20H2,1-5H3
InChIKeyUFFYFIRXDCNRNO-UHFFFAOYSA-N
MW395.66 g/mol
LogP6.00
Rot. Bonds7

About tert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane

tert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane (PubChem CID 69177639) has the molecular formula C25H37NOSi and a molecular weight of 395.66 g/mol. Its IUPAC name is tert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane
PubChem CID69177639
Molecular FormulaC25H37NOSi
Molecular Weight395.66 g/mol
Exact Mass395.26
IUPAC Nametert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CN(Cc2ccccc2)CC1Cc1ccccc1
InChIInChI=1S/C25H37NOSi/c1-25(2,3)28(4,5)27-20-24-19-26(17-22-14-10-7-11-15-22)18-23(24)16-21-12-8-6-9-13-21/h6-15,23-24H,16-20H2,1-5H3
InChIKeyUFFYFIRXDCNRNO-UHFFFAOYSA-N
XLogP6.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.66
LogP ≤ 56.00
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

[(3R,4S)-1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane
CID 68909864
[(3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane
CID 68917211
1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one
CID 123771378
[(2S,6S)-4-benzyl-6-[(2-nitrophenoxy)methyl]morpholin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 140800838
[(2R,3R)-1-benzyl-3-(trifluoromethyl)aziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 23243951
[(3aS,4S,7aS)-1-benzyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazol-4-yl]methoxy-tert-butyl-dimethylsilane
CID 15415065
N-[[(3S,4S)-1,4-dibenzylpyrrolidin-3-yl]methyl]aniline
CID 90744168
[(2R,3S)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 12030475
(1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
CID 44631754
[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane
CID 131749610
1-(4-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 171484955
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one
CID 15895933

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane (CID 69177639) is tert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1CN(Cc2ccccc2)CC1Cc1ccccc1.
What is the InChIKey of tert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane?
The InChIKey is UFFYFIRXDCNRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NOSi/c1-25(2,3)28(4,5)27-20-24-19-26(17-22-14-10-7-11-15-22)18-23(24)16-21-12-8-6-9-13-21/h6-15,23-24H,16-20H2,1-5H3.
What are the key properties of tert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane?
tert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane has a molecular weight of 395.66 g/mol, XLogP of 6.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 69177639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).