benzyl-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-dimethylsilane

C16H27NOSi — CID 10107897

IUPACbenzyl-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-dimethylsilane
SMILESCOC[C@@H]1CCCN1C[Si](C)(C)Cc1ccccc1
InChIInChI=1S/C16H27NOSi/c1-18-12-16-10-7-11-17(16)14-19(2,3)13-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-14H2,1-3H3/t16-/m0/s1
InChIKeyJNJQUHPGXAYXPU-INIZCTEOSA-N
MW277.48 g/mol
LogP3.13
Rot. Bonds6

About benzyl-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-dimethylsilane

benzyl-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-dimethylsilane (PubChem CID 10107897) has the molecular formula C16H27NOSi and a molecular weight of 277.48 g/mol. Its IUPAC name is benzyl-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-dimethylsilane.

Molecular Properties

Compound Namebenzyl-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-dimethylsilane
PubChem CID10107897
Molecular FormulaC16H27NOSi
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Namebenzyl-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-dimethylsilane
SMILESCOC[C@@H]1CCCN1C[Si](C)(C)Cc1ccccc1
InChIInChI=1S/C16H27NOSi/c1-18-12-16-10-7-11-17(16)14-19(2,3)13-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-14H2,1-3H3/t16-/m0/s1
InChIKeyJNJQUHPGXAYXPU-INIZCTEOSA-N
XLogP3.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 53.13
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

Furfurylamine, tetrahydro-N-methyl-N-(alpha-methylphenethyl)-, hydrochloride, (+)-
CID 201371
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(2S)-1-[3-(4-fluorophenyl)-3-methylbutyl]-2-(methoxymethyl)pyrrolidine
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(2R)-1-[3-(4-fluorophenyl)-3-methylbutyl]-2-(methoxymethyl)pyrrolidine
CID 155139259
(2R)-1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-2-(methoxymethyl)pyrrolidine
CID 166925264
1-[3-(4-Fluorophenyl)-3-methylbutyl]-2-(methoxymethyl)pyrrolidine
CID 166925370
(2S)-1-[(4R)-6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-2-(methoxymethyl)pyrrolidine
CID 170659390
(2S)-1-[(4S)-6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-2-(methoxymethyl)pyrrolidine
CID 170659398
[2-(Methoxymethyl)pyrrolidin-1-yl]methyl-dimethyl-(1-phenylethyl)silane
CID 5232942
1-[(2S)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethylsilyl]-2-phenylethyl]cyclohexan-1-ol
CID 10023254
lithium [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-dimethyl-(phenylmethyl)silane
CID 10107896
[(2S,3S,4S)-1-benzyl-3-(iodomethyl)-4-prop-1-en-2-ylpyrrolidin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10648595

Frequently Asked Questions

What is the IUPAC name of benzyl-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-dimethylsilane?
The IUPAC name of benzyl-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-dimethylsilane (CID 10107897) is benzyl-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-dimethylsilane.
What is the SMILES notation for benzyl-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-dimethylsilane?
The canonical SMILES for benzyl-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-dimethylsilane is COC[C@@H]1CCCN1C[Si](C)(C)Cc1ccccc1.
What is the InChIKey of benzyl-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-dimethylsilane?
The InChIKey is JNJQUHPGXAYXPU-INIZCTEOSA-N. The full InChI is InChI=1S/C16H27NOSi/c1-18-12-16-10-7-11-17(16)14-19(2,3)13-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-14H2,1-3H3/t16-/m0/s1.
What are the key properties of benzyl-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-dimethylsilane?
benzyl-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-dimethylsilane has a molecular weight of 277.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-dimethylsilane is sourced from PubChem (CID 10107897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).