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

C18H36N2OSi — CID 177427534

IUPAC(E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C1\CCCC[C@H]1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36N2OSi/c1-18(2,3)22(5,6)17-12-8-7-11-16(17)19-20-13-9-10-15(20)14-21-4/h15,17H,7-14H2,1-6H3/b19-16+/t15-,17+/m0/s1
InChIKeyQHJIFBGCOWFTSD-AEFBBULJSA-N
MW324.59 g/mol
LogP4.91
Rot. Bonds4

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

(E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine (PubChem CID 177427534) has the molecular formula C18H36N2OSi and a molecular weight of 324.59 g/mol. Its IUPAC name is (E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine.

Molecular Properties

Compound Name(E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine
PubChem CID177427534
Molecular FormulaC18H36N2OSi
Molecular Weight324.59 g/mol
Exact Mass324.26
IUPAC Name(E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C1\CCCC[C@H]1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36N2OSi/c1-18(2,3)22(5,6)17-12-8-7-11-16(17)19-20-13-9-10-15(20)14-21-4/h15,17H,7-14H2,1-6H3/b19-16+/t15-,17+/m0/s1
InChIKeyQHJIFBGCOWFTSD-AEFBBULJSA-N
XLogP4.91
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.59
LogP ≤ 54.91
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,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine?
The IUPAC name of (E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine (CID 177427534) is (E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine.
What is the SMILES notation for (E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine?
The canonical SMILES for (E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine is COC[C@@H]1CCCN1/N=C1\CCCC[C@H]1[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine?
The InChIKey is QHJIFBGCOWFTSD-AEFBBULJSA-N. The full InChI is InChI=1S/C18H36N2OSi/c1-18(2,3)22(5,6)17-12-8-7-11-16(17)19-20-13-9-10-15(20)14-21-4/h15,17H,7-14H2,1-6H3/b19-16+/t15-,17+/m0/s1.
What are the key properties of (E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine?
(E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine has a molecular weight of 324.59 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine is sourced from PubChem (CID 177427534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).