(E)-1-(4-tert-butylphenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine

C17H26N2O — CID 11161675

IUPAC(E)-1-(4-tert-butylphenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine
SMILESCOC[C@H]1CCCN1/N=C/c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H26N2O/c1-17(2,3)15-9-7-14(8-10-15)12-18-19-11-5-6-16(19)13-20-4/h7-10,12,16H,5-6,11,13H2,1-4H3/b18-12+/t16-/m1/s1
InChIKeyUOHSYRWYHYNAFO-YAJBTMAUSA-N
MW274.41 g/mol
LogP3.43
Rot. Bonds4

About (E)-1-(4-tert-butylphenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine

(E)-1-(4-tert-butylphenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine (PubChem CID 11161675) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (E)-1-(4-tert-butylphenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(4-tert-butylphenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine
PubChem CID11161675
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(E)-1-(4-tert-butylphenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine
SMILESCOC[C@H]1CCCN1/N=C/c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H26N2O/c1-17(2,3)15-9-7-14(8-10-15)12-18-19-11-5-6-16(19)13-20-4/h7-10,12,16H,5-6,11,13H2,1-4H3/b18-12+/t16-/m1/s1
InChIKeyUOHSYRWYHYNAFO-YAJBTMAUSA-N
XLogP3.43
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-tert-butylphenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine?
The IUPAC name of (E)-1-(4-tert-butylphenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine (CID 11161675) is (E)-1-(4-tert-butylphenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine.
What is the SMILES notation for (E)-1-(4-tert-butylphenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine?
The canonical SMILES for (E)-1-(4-tert-butylphenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine is COC[C@H]1CCCN1/N=C/c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (E)-1-(4-tert-butylphenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine?
The InChIKey is UOHSYRWYHYNAFO-YAJBTMAUSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,3)15-9-7-14(8-10-15)12-18-19-11-5-6-16(19)13-20-4/h7-10,12,16H,5-6,11,13H2,1-4H3/b18-12+/t16-/m1/s1.
What are the key properties of (E)-1-(4-tert-butylphenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine?
(E)-1-(4-tert-butylphenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine has a molecular weight of 274.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-tert-butylphenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine is sourced from PubChem (CID 11161675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).