(E)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine

C24H34N2O2Si — CID 11080105

IUPAC(E)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
SMILESCOC[C@@H]1CCCN1/N=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H34N2O2Si/c1-24(2,3)29(22-13-7-5-8-14-22,23-15-9-6-10-16-23)28-19-17-25-26-18-11-12-21(26)20-27-4/h5-10,13-17,21H,11-12,18-20H2,1-4H3/b25-17+/t21-/m0/s1
InChIKeyDOAKQBKZZYQLBR-DIWDRYHZSA-N
MW410.63 g/mol
LogP3.66
Rot. Bonds8

About (E)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine

(E)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine (PubChem CID 11080105) has the molecular formula C24H34N2O2Si and a molecular weight of 410.63 g/mol. Its IUPAC name is (E)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine.

Molecular Properties

Compound Name(E)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
PubChem CID11080105
Molecular FormulaC24H34N2O2Si
Molecular Weight410.63 g/mol
Exact Mass410.24
IUPAC Name(E)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
SMILESCOC[C@@H]1CCCN1/N=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H34N2O2Si/c1-24(2,3)29(22-13-7-5-8-14-22,23-15-9-6-10-16-23)28-19-17-25-26-18-11-12-21(26)20-27-4/h5-10,13-17,21H,11-12,18-20H2,1-4H3/b25-17+/t21-/m0/s1
InChIKeyDOAKQBKZZYQLBR-DIWDRYHZSA-N
XLogP3.66
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.63
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 15971722
(E)-2-diphenylphosphanyl-N-[2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
CID 21635358
Xgvhuwaweiaeln-gmahthkfsa-
CID 21671735
CID 10862478
CID 10862478
(Z,2R)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-imine
CID 10862479
CID 10883782
CID 10883782
(E,2S)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentan-1-imine
CID 10883783
(E,2S)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 10907229
(E)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
CID 10925855
(E,2S)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 10959359
tert-butyl (3S,4E)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]iminobutanoate
CID 10973392
(E,E)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-methylhex-4-en-1-imine
CID 11215736

Frequently Asked Questions

What is the IUPAC name of (E)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine?
The IUPAC name of (E)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine (CID 11080105) is (E)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine.
What is the SMILES notation for (E)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine?
The canonical SMILES for (E)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine is COC[C@@H]1CCCN1/N=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine?
The InChIKey is DOAKQBKZZYQLBR-DIWDRYHZSA-N. The full InChI is InChI=1S/C24H34N2O2Si/c1-24(2,3)29(22-13-7-5-8-14-22,23-15-9-6-10-16-23)28-19-17-25-26-18-11-12-21(26)20-27-4/h5-10,13-17,21H,11-12,18-20H2,1-4H3/b25-17+/t21-/m0/s1.
What are the key properties of (E)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine?
(E)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine has a molecular weight of 410.63 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine is sourced from PubChem (CID 11080105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).