(E,2S)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine

C21H36N2OSi — CID 10959359

IUPAC(E,2S)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C/[C@H](Cc1ccccc1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H36N2OSi/c1-21(2,3)25(5,6)20(15-18-11-8-7-9-12-18)16-22-23-14-10-13-19(23)17-24-4/h7-9,11-12,16,19-20H,10,13-15,17H2,1-6H3/b22-16+/t19-,20-/m0/s1
InChIKeyLCYTWZRMCGUZCF-WVKSPYBCSA-N
MW360.62 g/mol
LogP5.20
Rot. Bonds7

About (E,2S)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine

(E,2S)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine (PubChem CID 10959359) has the molecular formula C21H36N2OSi and a molecular weight of 360.62 g/mol. Its IUPAC name is (E,2S)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine.

Molecular Properties

Compound Name(E,2S)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
PubChem CID10959359
Molecular FormulaC21H36N2OSi
Molecular Weight360.62 g/mol
Exact Mass360.26
IUPAC Name(E,2S)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C/[C@H](Cc1ccccc1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H36N2OSi/c1-21(2,3)25(5,6)20(15-18-11-8-7-9-12-18)16-22-23-14-10-13-19(23)17-24-4/h7-9,11-12,16,19-20H,10,13-15,17H2,1-6H3/b22-16+/t19-,20-/m0/s1
InChIKeyLCYTWZRMCGUZCF-WVKSPYBCSA-N
XLogP5.20
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.62
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine
CID 11024637
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethanimine
CID 88927756
(E)-2-(3-fluorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
CID 155666015
[2-(Methoxymethyl)pyrrolidin-1-yl]methyl-dimethyl-(1-phenylethyl)silane
CID 5232942
benzyl-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-dimethylsilane
CID 10107897
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine
CID 10857334
(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-imine
CID 10868593
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine
CID 11139427
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 11402354
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine
CID 11831731
1-[(Benzyldimethylsilyl)methyl)-2-(methoxymethyl) pyrrolidine
CID 12048667
(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine
CID 13283581

Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine?
The IUPAC name of (E,2S)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine (CID 10959359) is (E,2S)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine.
What is the SMILES notation for (E,2S)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine?
The canonical SMILES for (E,2S)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine is COC[C@@H]1CCCN1/N=C/[C@H](Cc1ccccc1)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2S)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine?
The InChIKey is LCYTWZRMCGUZCF-WVKSPYBCSA-N. The full InChI is InChI=1S/C21H36N2OSi/c1-21(2,3)25(5,6)20(15-18-11-8-7-9-12-18)16-22-23-14-10-13-19(23)17-24-4/h7-9,11-12,16,19-20H,10,13-15,17H2,1-6H3/b22-16+/t19-,20-/m0/s1.
What are the key properties of (E,2S)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine?
(E,2S)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine has a molecular weight of 360.62 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine is sourced from PubChem (CID 10959359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).