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

C21H36N2OSi — CID 135049524

IUPAC(E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C(\c1ccccc1)[C@@H](C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H36N2OSi/c1-17(25(6,7)21(2,3)4)20(18-12-9-8-10-13-18)22-23-15-11-14-19(23)16-24-5/h8-10,12-13,17,19H,11,14-16H2,1-7H3/b22-20-/t17-,19+/m1/s1
InChIKeyAGAJWXZPALCDOU-AIHYEWLFSA-N
MW360.62 g/mol
LogP5.40
Rot. Bonds6

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

(E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine (PubChem CID 135049524) has the molecular formula C21H36N2OSi and a molecular weight of 360.62 g/mol. Its IUPAC name is (E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine.

Molecular Properties

Compound Name(E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine
PubChem CID135049524
Molecular FormulaC21H36N2OSi
Molecular Weight360.62 g/mol
Exact Mass360.26
IUPAC Name(E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C(\c1ccccc1)[C@@H](C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H36N2OSi/c1-17(25(6,7)21(2,3)4)20(18-12-9-8-10-13-18)22-23-15-11-14-19(23)16-24-5/h8-10,12-13,17,19H,11,14-16H2,1-7H3/b22-20-/t17-,19+/m1/s1
InChIKeyAGAJWXZPALCDOU-AIHYEWLFSA-N
XLogP5.40
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.62
LogP ≤ 55.40
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
(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
(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine
CID 13283581
(E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine
CID 13329770
(E)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 14168778

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine?
The IUPAC name of (E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine (CID 135049524) is (E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine.
What is the SMILES notation for (E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine?
The canonical SMILES for (E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine is COC[C@@H]1CCCN1/N=C(\c1ccccc1)[C@@H](C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine?
The InChIKey is AGAJWXZPALCDOU-AIHYEWLFSA-N. The full InChI is InChI=1S/C21H36N2OSi/c1-17(25(6,7)21(2,3)4)20(18-12-9-8-10-13-18)22-23-15-11-14-19(23)16-24-5/h8-10,12-13,17,19H,11,14-16H2,1-7H3/b22-20-/t17-,19+/m1/s1.
What are the key properties of (E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine?
(E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine has a molecular weight of 360.62 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine is sourced from PubChem (CID 135049524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).