(1-benzyl-5-methylpyrrolidin-2-yl)methoxy-tert-butyl-diphenylsilane

C29H37NOSi — CID 174147111

IUPAC(1-benzyl-5-methylpyrrolidin-2-yl)methoxy-tert-butyl-diphenylsilane
SMILESCC1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1Cc1ccccc1
InChIInChI=1S/C29H37NOSi/c1-24-20-21-26(30(24)22-25-14-8-5-9-15-25)23-31-32(29(2,3)4,27-16-10-6-11-17-27)28-18-12-7-13-19-28/h5-19,24,26H,20-23H2,1-4H3
InChIKeyJAQHSLPFHKWRRD-UHFFFAOYSA-N
MW443.71 g/mol
LogP5.62
Rot. Bonds7

About (1-benzyl-5-methylpyrrolidin-2-yl)methoxy-tert-butyl-diphenylsilane

(1-benzyl-5-methylpyrrolidin-2-yl)methoxy-tert-butyl-diphenylsilane (PubChem CID 174147111) has the molecular formula C29H37NOSi and a molecular weight of 443.71 g/mol. Its IUPAC name is (1-benzyl-5-methylpyrrolidin-2-yl)methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name(1-benzyl-5-methylpyrrolidin-2-yl)methoxy-tert-butyl-diphenylsilane
PubChem CID174147111
Molecular FormulaC29H37NOSi
Molecular Weight443.71 g/mol
Exact Mass443.26
IUPAC Name(1-benzyl-5-methylpyrrolidin-2-yl)methoxy-tert-butyl-diphenylsilane
SMILESCC1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1Cc1ccccc1
InChIInChI=1S/C29H37NOSi/c1-24-20-21-26(30(24)22-25-14-8-5-9-15-25)23-31-32(29(2,3)4,27-16-10-6-11-17-27)28-18-12-7-13-19-28/h5-19,24,26H,20-23H2,1-4H3
InChIKeyJAQHSLPFHKWRRD-UHFFFAOYSA-N
XLogP5.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.71
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-methylpyrrolidin-2-yl)methoxy-tert-butyl-diphenylsilane?
The IUPAC name of (1-benzyl-5-methylpyrrolidin-2-yl)methoxy-tert-butyl-diphenylsilane (CID 174147111) is (1-benzyl-5-methylpyrrolidin-2-yl)methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for (1-benzyl-5-methylpyrrolidin-2-yl)methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for (1-benzyl-5-methylpyrrolidin-2-yl)methoxy-tert-butyl-diphenylsilane is CC1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-methylpyrrolidin-2-yl)methoxy-tert-butyl-diphenylsilane?
The InChIKey is JAQHSLPFHKWRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37NOSi/c1-24-20-21-26(30(24)22-25-14-8-5-9-15-25)23-31-32(29(2,3)4,27-16-10-6-11-17-27)28-18-12-7-13-19-28/h5-19,24,26H,20-23H2,1-4H3.
What are the key properties of (1-benzyl-5-methylpyrrolidin-2-yl)methoxy-tert-butyl-diphenylsilane?
(1-benzyl-5-methylpyrrolidin-2-yl)methoxy-tert-butyl-diphenylsilane has a molecular weight of 443.71 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-methylpyrrolidin-2-yl)methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 174147111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).