(1-benzyl-4,4-dimethylpyrrolidin-3-yl)methoxy-tert-butyl-diphenylsilane

C30H39NOSi — CID 68912098

IUPAC(1-benzyl-4,4-dimethylpyrrolidin-3-yl)methoxy-tert-butyl-diphenylsilane
SMILESCC1(C)CN(Cc2ccccc2)CC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H39NOSi/c1-29(2,3)33(27-17-11-7-12-18-27,28-19-13-8-14-20-28)32-23-26-22-31(24-30(26,4)5)21-25-15-9-6-10-16-25/h6-20,26H,21-24H2,1-5H3
InChIKeyBRKFPPQDOAIBQE-UHFFFAOYSA-N
MW457.73 g/mol
LogP5.72
Rot. Bonds7

About (1-benzyl-4,4-dimethylpyrrolidin-3-yl)methoxy-tert-butyl-diphenylsilane

(1-benzyl-4,4-dimethylpyrrolidin-3-yl)methoxy-tert-butyl-diphenylsilane (PubChem CID 68912098) has the molecular formula C30H39NOSi and a molecular weight of 457.73 g/mol. Its IUPAC name is (1-benzyl-4,4-dimethylpyrrolidin-3-yl)methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name(1-benzyl-4,4-dimethylpyrrolidin-3-yl)methoxy-tert-butyl-diphenylsilane
PubChem CID68912098
Molecular FormulaC30H39NOSi
Molecular Weight457.73 g/mol
Exact Mass457.28
IUPAC Name(1-benzyl-4,4-dimethylpyrrolidin-3-yl)methoxy-tert-butyl-diphenylsilane
SMILESCC1(C)CN(Cc2ccccc2)CC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H39NOSi/c1-29(2,3)33(27-17-11-7-12-18-27,28-19-13-8-14-20-28)32-23-26-22-31(24-30(26,4)5)21-25-15-9-6-10-16-25/h6-20,26H,21-24H2,1-5H3
InChIKeyBRKFPPQDOAIBQE-UHFFFAOYSA-N
XLogP5.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.73
LogP ≤ 55.72
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-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine
CID 70113914
1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethylpiperidin-3-ol
CID 163246812
2-[(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]propan-2-amine
CID 142426134
[(1R,2R)-2-(2-bromoethynyl)-2-methylcyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 140733360
[(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol
CID 15443826
[(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 67980790
2-[1-benzyl-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidin-4-yl]acetaldehyde
CID 59714908
[1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]methyl-methylcarbamic acid
CID 174147104
1-benzyl-4,4-dimethylpyrrolidine-3-carboxylic acid
CID 5081554
[1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol
CID 130151390
(4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-1,3-oxazolidin-2-one
CID 15441175
[(4aS,7R,7aS)-1-benzyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridin-7-yl]methoxy-tert-butyl-diphenylsilane
CID 72722960

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-4,4-dimethylpyrrolidin-3-yl)methoxy-tert-butyl-diphenylsilane?
The IUPAC name of (1-benzyl-4,4-dimethylpyrrolidin-3-yl)methoxy-tert-butyl-diphenylsilane (CID 68912098) is (1-benzyl-4,4-dimethylpyrrolidin-3-yl)methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for (1-benzyl-4,4-dimethylpyrrolidin-3-yl)methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for (1-benzyl-4,4-dimethylpyrrolidin-3-yl)methoxy-tert-butyl-diphenylsilane is CC1(C)CN(Cc2ccccc2)CC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (1-benzyl-4,4-dimethylpyrrolidin-3-yl)methoxy-tert-butyl-diphenylsilane?
The InChIKey is BRKFPPQDOAIBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39NOSi/c1-29(2,3)33(27-17-11-7-12-18-27,28-19-13-8-14-20-28)32-23-26-22-31(24-30(26,4)5)21-25-15-9-6-10-16-25/h6-20,26H,21-24H2,1-5H3.
What are the key properties of (1-benzyl-4,4-dimethylpyrrolidin-3-yl)methoxy-tert-butyl-diphenylsilane?
(1-benzyl-4,4-dimethylpyrrolidin-3-yl)methoxy-tert-butyl-diphenylsilane has a molecular weight of 457.73 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-4,4-dimethylpyrrolidin-3-yl)methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 68912098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).