(E)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-imine

C26H38N2O2Si — CID 11396502

IUPAC(E)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H38N2O2Si/c1-26(2,3)31(24-15-7-5-8-16-24,25-17-9-6-10-18-25)30-21-12-11-19-27-28-20-13-14-23(28)22-29-4/h5-10,15-19,23H,11-14,20-22H2,1-4H3/b27-19+/t23-/m0/s1
InChIKeyYLZGYXJDJKSSMR-MAIZJUNESA-N
MW438.69 g/mol
LogP4.44
Rot. Bonds10

About (E)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-imine

(E)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-imine (PubChem CID 11396502) has the molecular formula C26H38N2O2Si and a molecular weight of 438.69 g/mol. Its IUPAC name is (E)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-imine.

Molecular Properties

Compound Name(E)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-imine
PubChem CID11396502
Molecular FormulaC26H38N2O2Si
Molecular Weight438.69 g/mol
Exact Mass438.27
IUPAC Name(E)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H38N2O2Si/c1-26(2,3)31(24-15-7-5-8-16-24,25-17-9-6-10-18-25)30-21-12-11-19-27-28-20-13-14-23(28)22-29-4/h5-10,15-19,23H,11-14,20-22H2,1-4H3/b27-19+/t23-/m0/s1
InChIKeyYLZGYXJDJKSSMR-MAIZJUNESA-N
XLogP4.44
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.69
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
Dqwrxivowyfkgx-jsilxlissa-
CID 21635402
Pqxpsprfkcgfhz-lmfshbmrsa-
CID 21635403
Fllduqjbvhyrrs-sftdatjtsa-
CID 21671720
Xgvhuwaweiaeln-gmahthkfsa-
CID 21671735
Odxsvtkkyhpmht-nrfanrhfsa-
CID 23241580
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

Frequently Asked Questions

What is the IUPAC name of (E)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-imine?
The IUPAC name of (E)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-imine (CID 11396502) is (E)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-imine.
What is the SMILES notation for (E)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-imine?
The canonical SMILES for (E)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-imine is COC[C@@H]1CCCN1/N=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-imine?
The InChIKey is YLZGYXJDJKSSMR-MAIZJUNESA-N. The full InChI is InChI=1S/C26H38N2O2Si/c1-26(2,3)31(24-15-7-5-8-16-24,25-17-9-6-10-18-25)30-21-12-11-19-27-28-20-13-14-23(28)22-29-4/h5-10,15-19,23H,11-14,20-22H2,1-4H3/b27-19+/t23-/m0/s1.
What are the key properties of (E)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-imine?
(E)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-imine has a molecular weight of 438.69 g/mol, XLogP of 4.44, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-imine is sourced from PubChem (CID 11396502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).