(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-Fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine
CID 70892383
4-(2,6-Dimethylmorpholin-4-yl)-6-fluorocyclohexa-1,5-dien-1-amine
CID 70892539
2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-N-methylcyclohexa-2,4-dien-1-amine
CID 70892573
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorocyclohexa-2,4-dien-1-amine
CID 70892619
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorocyclohexa-1,5-dien-1-amine
CID 71034450
(5Z)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,7-difluorohepta-1,5-dien-3-amine
CID 89153883
(5E)-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluorohepta-1,5-dien-4-amine
CID 89154041
(5Z)-7-(3-fluoro-2,6-dimethylmorpholin-4-yl)hepta-1,5-dien-4-amine
CID 89214787
2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]morpholine
CID 130949222
(Z)-4,5-dimethyl-6-(2,3,6-trimethylmorpholin-4-yl)hex-4-en-3-amine
CID 70892385
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-amine
CID 70892510
(E)-6-(2,6-dimethylmorpholin-4-yl)hex-2-en-3-amine
CID 70892511

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).