(E,3R)-6-(2,6-dimethylmorpholin-4-yl)-4-fluorohex-4-en-3-amine

C12H23FN2O — CID 70892623

IUPAC(E,3R)-6-(2,6-dimethylmorpholin-4-yl)-4-fluorohex-4-en-3-amine
SMILESCC[C@@H](N)/C(F)=C\CN1CC(C)OC(C)C1
InChIInChI=1S/C12H23FN2O/c1-4-12(14)11(13)5-6-15-7-9(2)16-10(3)8-15/h5,9-10,12H,4,6-8,14H2,1-3H3/b11-5+/t9?,10?,12-/m1/s1
InChIKeyUVYCYGKGEIAESN-XTPCEBTMSA-N
MW230.33 g/mol
LogP1.69
Rot. Bonds4

About (E,3R)-6-(2,6-dimethylmorpholin-4-yl)-4-fluorohex-4-en-3-amine

(E,3R)-6-(2,6-dimethylmorpholin-4-yl)-4-fluorohex-4-en-3-amine (PubChem CID 70892623) has the molecular formula C12H23FN2O and a molecular weight of 230.33 g/mol. Its IUPAC name is (E,3R)-6-(2,6-dimethylmorpholin-4-yl)-4-fluorohex-4-en-3-amine.

Molecular Properties

Compound Name(E,3R)-6-(2,6-dimethylmorpholin-4-yl)-4-fluorohex-4-en-3-amine
PubChem CID70892623
Molecular FormulaC12H23FN2O
Molecular Weight230.33 g/mol
Exact Mass230.18
IUPAC Name(E,3R)-6-(2,6-dimethylmorpholin-4-yl)-4-fluorohex-4-en-3-amine
SMILESCC[C@@H](N)/C(F)=C\CN1CC(C)OC(C)C1
InChIInChI=1S/C12H23FN2O/c1-4-12(14)11(13)5-6-15-7-9(2)16-10(3)8-15/h5,9-10,12H,4,6-8,14H2,1-3H3/b11-5+/t9?,10?,12-/m1/s1
InChIKeyUVYCYGKGEIAESN-XTPCEBTMSA-N
XLogP1.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E,3R)-6-(2,6-dimethylmorpholin-4-yl)-4-fluorohex-4-en-3-amine?
The IUPAC name of (E,3R)-6-(2,6-dimethylmorpholin-4-yl)-4-fluorohex-4-en-3-amine (CID 70892623) is (E,3R)-6-(2,6-dimethylmorpholin-4-yl)-4-fluorohex-4-en-3-amine.
What is the SMILES notation for (E,3R)-6-(2,6-dimethylmorpholin-4-yl)-4-fluorohex-4-en-3-amine?
The canonical SMILES for (E,3R)-6-(2,6-dimethylmorpholin-4-yl)-4-fluorohex-4-en-3-amine is CC[C@@H](N)/C(F)=C\CN1CC(C)OC(C)C1.
What is the InChIKey of (E,3R)-6-(2,6-dimethylmorpholin-4-yl)-4-fluorohex-4-en-3-amine?
The InChIKey is UVYCYGKGEIAESN-XTPCEBTMSA-N. The full InChI is InChI=1S/C12H23FN2O/c1-4-12(14)11(13)5-6-15-7-9(2)16-10(3)8-15/h5,9-10,12H,4,6-8,14H2,1-3H3/b11-5+/t9?,10?,12-/m1/s1.
What are the key properties of (E,3R)-6-(2,6-dimethylmorpholin-4-yl)-4-fluorohex-4-en-3-amine?
(E,3R)-6-(2,6-dimethylmorpholin-4-yl)-4-fluorohex-4-en-3-amine has a molecular weight of 230.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-6-(2,6-dimethylmorpholin-4-yl)-4-fluorohex-4-en-3-amine is sourced from PubChem (CID 70892623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).