(2S)-N-[(E)-2-[tert-butyl(diphenyl)silyl]oxyethylideneamino]-2-(methoxymethyl)pyrrolidin-1-amine

C24H35N3O2Si — CID 177383564

IUPAC(2S)-N-[(E)-2-[tert-butyl(diphenyl)silyl]oxyethylideneamino]-2-(methoxymethyl)pyrrolidin-1-amine
SMILESCOC[C@@H]1CCCN1N/N=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H35N3O2Si/c1-24(2,3)30(22-13-7-5-8-14-22,23-15-9-6-10-16-23)29-19-17-25-26-27-18-11-12-21(27)20-28-4/h5-10,13-17,21,26H,11-12,18-20H2,1-4H3/b25-17+/t21-/m0/s1
InChIKeyNYIQMBSBCXZLBP-DIWDRYHZSA-N
MW425.65 g/mol
LogP3.16
Rot. Bonds9

About (2S)-N-[(E)-2-[tert-butyl(diphenyl)silyl]oxyethylideneamino]-2-(methoxymethyl)pyrrolidin-1-amine

(2S)-N-[(E)-2-[tert-butyl(diphenyl)silyl]oxyethylideneamino]-2-(methoxymethyl)pyrrolidin-1-amine (PubChem CID 177383564) has the molecular formula C24H35N3O2Si and a molecular weight of 425.65 g/mol. Its IUPAC name is (2S)-N-[(E)-2-[tert-butyl(diphenyl)silyl]oxyethylideneamino]-2-(methoxymethyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name(2S)-N-[(E)-2-[tert-butyl(diphenyl)silyl]oxyethylideneamino]-2-(methoxymethyl)pyrrolidin-1-amine
PubChem CID177383564
Molecular FormulaC24H35N3O2Si
Molecular Weight425.65 g/mol
Exact Mass425.25
IUPAC Name(2S)-N-[(E)-2-[tert-butyl(diphenyl)silyl]oxyethylideneamino]-2-(methoxymethyl)pyrrolidin-1-amine
SMILESCOC[C@@H]1CCCN1N/N=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H35N3O2Si/c1-24(2,3)30(22-13-7-5-8-14-22,23-15-9-6-10-16-23)29-19-17-25-26-27-18-11-12-21(27)20-28-4/h5-10,13-17,21,26H,11-12,18-20H2,1-4H3/b25-17+/t21-/m0/s1
InChIKeyNYIQMBSBCXZLBP-DIWDRYHZSA-N
XLogP3.16
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.65
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
CID 11080105
(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
(E)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-imine
CID 11396502
(E,2R)-4-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-imine
CID 11442372
(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-imine
CID 23649795
(E,2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,4-dimethylpentan-1-imine
CID 23649831

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(E)-2-[tert-butyl(diphenyl)silyl]oxyethylideneamino]-2-(methoxymethyl)pyrrolidin-1-amine?
The IUPAC name of (2S)-N-[(E)-2-[tert-butyl(diphenyl)silyl]oxyethylideneamino]-2-(methoxymethyl)pyrrolidin-1-amine (CID 177383564) is (2S)-N-[(E)-2-[tert-butyl(diphenyl)silyl]oxyethylideneamino]-2-(methoxymethyl)pyrrolidin-1-amine.
What is the SMILES notation for (2S)-N-[(E)-2-[tert-butyl(diphenyl)silyl]oxyethylideneamino]-2-(methoxymethyl)pyrrolidin-1-amine?
The canonical SMILES for (2S)-N-[(E)-2-[tert-butyl(diphenyl)silyl]oxyethylideneamino]-2-(methoxymethyl)pyrrolidin-1-amine is COC[C@@H]1CCCN1N/N=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S)-N-[(E)-2-[tert-butyl(diphenyl)silyl]oxyethylideneamino]-2-(methoxymethyl)pyrrolidin-1-amine?
The InChIKey is NYIQMBSBCXZLBP-DIWDRYHZSA-N. The full InChI is InChI=1S/C24H35N3O2Si/c1-24(2,3)30(22-13-7-5-8-14-22,23-15-9-6-10-16-23)29-19-17-25-26-27-18-11-12-21(27)20-28-4/h5-10,13-17,21,26H,11-12,18-20H2,1-4H3/b25-17+/t21-/m0/s1.
What are the key properties of (2S)-N-[(E)-2-[tert-butyl(diphenyl)silyl]oxyethylideneamino]-2-(methoxymethyl)pyrrolidin-1-amine?
(2S)-N-[(E)-2-[tert-butyl(diphenyl)silyl]oxyethylideneamino]-2-(methoxymethyl)pyrrolidin-1-amine has a molecular weight of 425.65 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(E)-2-[tert-butyl(diphenyl)silyl]oxyethylideneamino]-2-(methoxymethyl)pyrrolidin-1-amine is sourced from PubChem (CID 177383564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).