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

C16H34N2OSi — CID 10913562

IUPAC(E)-1-[tert-butyl(dimethyl)silyl]-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
SMILESCC/C(C[Si](C)(C)C(C)(C)C)=N\N1CCC[C@@H]1COC
InChIInChI=1S/C16H34N2OSi/c1-8-14(13-20(6,7)16(2,3)4)17-18-11-9-10-15(18)12-19-5/h15H,8-13H2,1-7H3/b17-14+/t15-/m1/s1
InChIKeyHUYJELOIKSRAMD-PWVLXBNSSA-N
MW298.55 g/mol
LogP4.37
Rot. Bonds6

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

(E)-1-[tert-butyl(dimethyl)silyl]-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine (PubChem CID 10913562) has the molecular formula C16H34N2OSi and a molecular weight of 298.55 g/mol. Its IUPAC name is (E)-1-[tert-butyl(dimethyl)silyl]-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine.

Molecular Properties

Compound Name(E)-1-[tert-butyl(dimethyl)silyl]-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
PubChem CID10913562
Molecular FormulaC16H34N2OSi
Molecular Weight298.55 g/mol
Exact Mass298.24
IUPAC Name(E)-1-[tert-butyl(dimethyl)silyl]-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
SMILESCC/C(C[Si](C)(C)C(C)(C)C)=N\N1CCC[C@@H]1COC
InChIInChI=1S/C16H34N2OSi/c1-8-14(13-20(6,7)16(2,3)4)17-18-11-9-10-15(18)12-19-5/h15H,8-13H2,1-7H3/b17-14+/t15-/m1/s1
InChIKeyHUYJELOIKSRAMD-PWVLXBNSSA-N
XLogP4.37
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.55
LogP ≤ 54.37
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine?
The IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine (CID 10913562) is (E)-1-[tert-butyl(dimethyl)silyl]-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine.
What is the SMILES notation for (E)-1-[tert-butyl(dimethyl)silyl]-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine?
The canonical SMILES for (E)-1-[tert-butyl(dimethyl)silyl]-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine is CC/C(C[Si](C)(C)C(C)(C)C)=N\N1CCC[C@@H]1COC.
What is the InChIKey of (E)-1-[tert-butyl(dimethyl)silyl]-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine?
The InChIKey is HUYJELOIKSRAMD-PWVLXBNSSA-N. The full InChI is InChI=1S/C16H34N2OSi/c1-8-14(13-20(6,7)16(2,3)4)17-18-11-9-10-15(18)12-19-5/h15H,8-13H2,1-7H3/b17-14+/t15-/m1/s1.
What are the key properties of (E)-1-[tert-butyl(dimethyl)silyl]-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine?
(E)-1-[tert-butyl(dimethyl)silyl]-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine has a molecular weight of 298.55 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[tert-butyl(dimethyl)silyl]-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine is sourced from PubChem (CID 10913562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).