(1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane

C18H31NOSi — CID 44631754

IUPAC(1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CCCN1Cc1ccccc1
InChIInChI=1S/C18H31NOSi/c1-18(2,3)21(4,5)20-15-17-12-9-13-19(17)14-16-10-7-6-8-11-16/h6-8,10-11,17H,9,12-15H2,1-5H3
InChIKeyHKQOELVTFRGQDB-UHFFFAOYSA-N
MW305.54 g/mol
LogP4.67
Rot. Bonds5

About (1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane

(1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane (PubChem CID 44631754) has the molecular formula C18H31NOSi and a molecular weight of 305.54 g/mol. Its IUPAC name is (1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
PubChem CID44631754
Molecular FormulaC18H31NOSi
Molecular Weight305.54 g/mol
Exact Mass305.22
IUPAC Name(1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CCCN1Cc1ccccc1
InChIInChI=1S/C18H31NOSi/c1-18(2,3)21(4,5)20-15-17-12-9-13-19(17)14-16-10-7-6-8-11-16/h6-8,10-11,17H,9,12-15H2,1-5H3
InChIKeyHKQOELVTFRGQDB-UHFFFAOYSA-N
XLogP4.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.54
LogP ≤ 54.67
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

[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane
CID 131749610
N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
CID 62580013
tert-butyl-dimethyl-[[(2R)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]silane
CID 177415257
(1-benzyl-3,4-dimethylidenepyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
CID 10980405
[(2R,3S)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 12030475
1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one
CID 123771378
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
[(2R,3R)-1-benzyl-3-(trifluoromethyl)aziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 23243951
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278
1-benzyl-2-(furan-2-ylmethyl)pyrrolidine
CID 44596412
tert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane
CID 69177639
2-[(2R)-4-benzyl-1-ethylpiperazin-2-yl]ethoxy-tert-butyl-dimethylsilane
CID 176897495

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane (CID 44631754) is (1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1CCCN1Cc1ccccc1.
What is the InChIKey of (1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is HKQOELVTFRGQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NOSi/c1-18(2,3)21(4,5)20-15-17-12-9-13-19(17)14-16-10-7-6-8-11-16/h6-8,10-11,17H,9,12-15H2,1-5H3.
What are the key properties of (1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane?
(1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 305.54 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 44631754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).