(1-benzyl-5-methylpyrrolidin-3-yl)oxy-tert-butyl-dimethylsilane

C18H31NOSi — CID 152571898

IUPAC(1-benzyl-5-methylpyrrolidin-3-yl)oxy-tert-butyl-dimethylsilane
SMILESCC1CC(O[Si](C)(C)C(C)(C)C)CN1Cc1ccccc1
InChIInChI=1S/C18H31NOSi/c1-15-12-17(20-21(5,6)18(2,3)4)14-19(15)13-16-10-8-7-9-11-16/h7-11,15,17H,12-14H2,1-6H3
InChIKeyYRQPVTLZMPSZCE-UHFFFAOYSA-N
MW305.54 g/mol
LogP4.67
Rot. Bonds4

About (1-benzyl-5-methylpyrrolidin-3-yl)oxy-tert-butyl-dimethylsilane

(1-benzyl-5-methylpyrrolidin-3-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 152571898) has the molecular formula C18H31NOSi and a molecular weight of 305.54 g/mol. Its IUPAC name is (1-benzyl-5-methylpyrrolidin-3-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(1-benzyl-5-methylpyrrolidin-3-yl)oxy-tert-butyl-dimethylsilane
PubChem CID152571898
Molecular FormulaC18H31NOSi
Molecular Weight305.54 g/mol
Exact Mass305.22
IUPAC Name(1-benzyl-5-methylpyrrolidin-3-yl)oxy-tert-butyl-dimethylsilane
SMILESCC1CC(O[Si](C)(C)C(C)(C)C)CN1Cc1ccccc1
InChIInChI=1S/C18H31NOSi/c1-15-12-17(20-21(5,6)18(2,3)4)14-19(15)13-16-10-8-7-9-11-16/h7-11,15,17H,12-14H2,1-6H3
InChIKeyYRQPVTLZMPSZCE-UHFFFAOYSA-N
XLogP4.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 139674628
(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid
CID 175140102
1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid
CID 67033582
ethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate
CID 23248578
tert-butyl-[(1,2-dibenzyl-1,4-diazepan-6-yl)oxy]-dimethylsilane
CID 153402327
[(3R,5R)-1-benzyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 67752095
[(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]oct-6-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 102324960
[(3R,5R)-1-benzyl-5-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 139716813
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
(1R,3R,7R,9R)-5-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5-azabicyclo[7.1.0]decan-4-one
CID 11315782
(5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one
CID 102262809

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-methylpyrrolidin-3-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (1-benzyl-5-methylpyrrolidin-3-yl)oxy-tert-butyl-dimethylsilane (CID 152571898) is (1-benzyl-5-methylpyrrolidin-3-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (1-benzyl-5-methylpyrrolidin-3-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (1-benzyl-5-methylpyrrolidin-3-yl)oxy-tert-butyl-dimethylsilane is CC1CC(O[Si](C)(C)C(C)(C)C)CN1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-methylpyrrolidin-3-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is YRQPVTLZMPSZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NOSi/c1-15-12-17(20-21(5,6)18(2,3)4)14-19(15)13-16-10-8-7-9-11-16/h7-11,15,17H,12-14H2,1-6H3.
What are the key properties of (1-benzyl-5-methylpyrrolidin-3-yl)oxy-tert-butyl-dimethylsilane?
(1-benzyl-5-methylpyrrolidin-3-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 305.54 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-methylpyrrolidin-3-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 152571898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).