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

C27H40N2O2Si — CID 11442372

IUPAC(E,2R)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C/[C@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H40N2O2Si/c1-23(21-28-29-19-12-13-24(29)22-30-5)18-20-31-32(27(2,3)4,25-14-8-6-9-15-25)26-16-10-7-11-17-26/h6-11,14-17,21,23-24H,12-13,18-20,22H2,1-5H3/b28-21+/t23-,24+/m1/s1
InChIKeyLNJGTGRTVRURRW-HGUFJYQQSA-N
MW452.72 g/mol
LogP4.69
Rot. Bonds10

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

(E,2R)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-imine (PubChem CID 11442372) has the molecular formula C27H40N2O2Si and a molecular weight of 452.72 g/mol. Its IUPAC name is (E,2R)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-imine.

Molecular Properties

Compound Name(E,2R)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-imine
PubChem CID11442372
Molecular FormulaC27H40N2O2Si
Molecular Weight452.72 g/mol
Exact Mass452.29
IUPAC Name(E,2R)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C/[C@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H40N2O2Si/c1-23(21-28-29-19-12-13-24(29)22-30-5)18-20-31-32(27(2,3)4,25-14-8-6-9-15-25)26-16-10-7-11-17-26/h6-11,14-17,21,23-24H,12-13,18-20,22H2,1-5H3/b28-21+/t23-,24+/m1/s1
InChIKeyLNJGTGRTVRURRW-HGUFJYQQSA-N
XLogP4.69
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.72
LogP ≤ 54.69
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
Fllduqjbvhyrrs-sftdatjtsa-
CID 21671720
Xgvhuwaweiaeln-gmahthkfsa-
CID 21671735
Odxsvtkkyhpmht-nrfanrhfsa-
CID 23241580
Vmxuughcgmrwdt-upvqgacjsa-
CID 23241585
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

Frequently Asked Questions

What is the IUPAC name of (E,2R)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-imine?
The IUPAC name of (E,2R)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-imine (CID 11442372) is (E,2R)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-imine.
What is the SMILES notation for (E,2R)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-imine?
The canonical SMILES for (E,2R)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-imine is COC[C@@H]1CCCN1/N=C/[C@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E,2R)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-imine?
The InChIKey is LNJGTGRTVRURRW-HGUFJYQQSA-N. The full InChI is InChI=1S/C27H40N2O2Si/c1-23(21-28-29-19-12-13-24(29)22-30-5)18-20-31-32(27(2,3)4,25-14-8-6-9-15-25)26-16-10-7-11-17-26/h6-11,14-17,21,23-24H,12-13,18-20,22H2,1-5H3/b28-21+/t23-,24+/m1/s1.
What are the key properties of (E,2R)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-imine?
(E,2R)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-imine has a molecular weight of 452.72 g/mol, XLogP of 4.69, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-imine is sourced from PubChem (CID 11442372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).