(2E,4E)-1-(2,6-dimethylmorpholin-4-yl)-5-fluorohepta-2,4,6-trien-2-amine

C13H21FN2O — CID 89215137

IUPAC(2E,4E)-1-(2,6-dimethylmorpholin-4-yl)-5-fluorohepta-2,4,6-trien-2-amine
SMILESC=C/C(F)=C\C=C(\N)CN1CC(C)OC(C)C1
InChIInChI=1S/C13H21FN2O/c1-4-12(14)5-6-13(15)9-16-7-10(2)17-11(3)8-16/h4-6,10-11H,1,7-9,15H2,2-3H3/b12-5+,13-6+
InChIKeyUOQUWESWJMJPHE-BYDSPXIWSA-N
MW240.32 g/mol
LogP1.98
Rot. Bonds4

About (2E,4E)-1-(2,6-dimethylmorpholin-4-yl)-5-fluorohepta-2,4,6-trien-2-amine

(2E,4E)-1-(2,6-dimethylmorpholin-4-yl)-5-fluorohepta-2,4,6-trien-2-amine (PubChem CID 89215137) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is (2E,4E)-1-(2,6-dimethylmorpholin-4-yl)-5-fluorohepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E)-1-(2,6-dimethylmorpholin-4-yl)-5-fluorohepta-2,4,6-trien-2-amine
PubChem CID89215137
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name(2E,4E)-1-(2,6-dimethylmorpholin-4-yl)-5-fluorohepta-2,4,6-trien-2-amine
SMILESC=C/C(F)=C\C=C(\N)CN1CC(C)OC(C)C1
InChIInChI=1S/C13H21FN2O/c1-4-12(14)5-6-13(15)9-16-7-10(2)17-11(3)8-16/h4-6,10-11H,1,7-9,15H2,2-3H3/b12-5+,13-6+
InChIKeyUOQUWESWJMJPHE-BYDSPXIWSA-N
XLogP1.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-(2,6-dimethylmorpholin-4-yl)-5-fluorohepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E)-1-(2,6-dimethylmorpholin-4-yl)-5-fluorohepta-2,4,6-trien-2-amine (CID 89215137) is (2E,4E)-1-(2,6-dimethylmorpholin-4-yl)-5-fluorohepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E)-1-(2,6-dimethylmorpholin-4-yl)-5-fluorohepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E)-1-(2,6-dimethylmorpholin-4-yl)-5-fluorohepta-2,4,6-trien-2-amine is C=C/C(F)=C\C=C(\N)CN1CC(C)OC(C)C1.
What is the InChIKey of (2E,4E)-1-(2,6-dimethylmorpholin-4-yl)-5-fluorohepta-2,4,6-trien-2-amine?
The InChIKey is UOQUWESWJMJPHE-BYDSPXIWSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-4-12(14)5-6-13(15)9-16-7-10(2)17-11(3)8-16/h4-6,10-11H,1,7-9,15H2,2-3H3/b12-5+,13-6+.
What are the key properties of (2E,4E)-1-(2,6-dimethylmorpholin-4-yl)-5-fluorohepta-2,4,6-trien-2-amine?
(2E,4E)-1-(2,6-dimethylmorpholin-4-yl)-5-fluorohepta-2,4,6-trien-2-amine has a molecular weight of 240.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-(2,6-dimethylmorpholin-4-yl)-5-fluorohepta-2,4,6-trien-2-amine is sourced from PubChem (CID 89215137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).