(3S,5S)-N,N-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-amine

C25H38N2OSi — CID 151840020

IUPAC(3S,5S)-N,N-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](N(Cc2ccccc2)Cc2ccccc2)CN1
InChIInChI=1S/C25H38N2OSi/c1-25(2,3)29(4,5)28-20-23-16-24(17-26-23)27(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,23-24,26H,16-20H2,1-5H3/t23-,24-/m0/s1
InChIKeySGLORAVTMKMUDV-ZEQRLZLVSA-N
MW410.68 g/mol
LogP5.44
Rot. Bonds8

About (3S,5S)-N,N-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-amine

(3S,5S)-N,N-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-amine (PubChem CID 151840020) has the molecular formula C25H38N2OSi and a molecular weight of 410.68 g/mol. Its IUPAC name is (3S,5S)-N,N-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,5S)-N,N-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-amine
PubChem CID151840020
Molecular FormulaC25H38N2OSi
Molecular Weight410.68 g/mol
Exact Mass410.28
IUPAC Name(3S,5S)-N,N-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](N(Cc2ccccc2)Cc2ccccc2)CN1
InChIInChI=1S/C25H38N2OSi/c1-25(2,3)29(4,5)28-20-23-16-24(17-26-23)27(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,23-24,26H,16-20H2,1-5H3/t23-,24-/m0/s1
InChIKeySGLORAVTMKMUDV-ZEQRLZLVSA-N
XLogP5.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.68
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3S,5S)-N,N-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-amine?
The IUPAC name of (3S,5S)-N,N-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-amine (CID 151840020) is (3S,5S)-N,N-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S,5S)-N,N-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-amine?
The canonical SMILES for (3S,5S)-N,N-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-amine is CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](N(Cc2ccccc2)Cc2ccccc2)CN1.
What is the InChIKey of (3S,5S)-N,N-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-amine?
The InChIKey is SGLORAVTMKMUDV-ZEQRLZLVSA-N. The full InChI is InChI=1S/C25H38N2OSi/c1-25(2,3)29(4,5)28-20-23-16-24(17-26-23)27(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,23-24,26H,16-20H2,1-5H3/t23-,24-/m0/s1.
What are the key properties of (3S,5S)-N,N-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-amine?
(3S,5S)-N,N-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-amine has a molecular weight of 410.68 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-N,N-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-amine is sourced from PubChem (CID 151840020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).