(5E)-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluorohepta-1,5-dien-4-amine

C13H23FN2O — CID 89154041

IUPAC(5E)-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluorohepta-1,5-dien-4-amine
SMILESC=CCC(N)/C=C(/F)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H23FN2O/c1-4-5-13(15)6-12(14)9-16-7-10(2)17-11(3)8-16/h4,6,10-11,13H,1,5,7-9,15H2,2-3H3/b12-6+/t10-,11+,13?
InChIKeyOPZYFRSTAAAXAC-SFVIIJALSA-N
MW242.34 g/mol
LogP1.85
Rot. Bonds5

About (5E)-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluorohepta-1,5-dien-4-amine

(5E)-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluorohepta-1,5-dien-4-amine (PubChem CID 89154041) has the molecular formula C13H23FN2O and a molecular weight of 242.34 g/mol. Its IUPAC name is (5E)-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluorohepta-1,5-dien-4-amine.

Molecular Properties

Compound Name(5E)-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluorohepta-1,5-dien-4-amine
PubChem CID89154041
Molecular FormulaC13H23FN2O
Molecular Weight242.34 g/mol
Exact Mass242.18
IUPAC Name(5E)-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluorohepta-1,5-dien-4-amine
SMILESC=CCC(N)/C=C(/F)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H23FN2O/c1-4-5-13(15)6-12(14)9-16-7-10(2)17-11(3)8-16/h4,6,10-11,13H,1,5,7-9,15H2,2-3H3/b12-6+/t10-,11+,13?
InChIKeyOPZYFRSTAAAXAC-SFVIIJALSA-N
XLogP1.85
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluorohepta-1,5-dien-4-amine?
The IUPAC name of (5E)-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluorohepta-1,5-dien-4-amine (CID 89154041) is (5E)-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluorohepta-1,5-dien-4-amine.
What is the SMILES notation for (5E)-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluorohepta-1,5-dien-4-amine?
The canonical SMILES for (5E)-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluorohepta-1,5-dien-4-amine is C=CCC(N)/C=C(/F)CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (5E)-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluorohepta-1,5-dien-4-amine?
The InChIKey is OPZYFRSTAAAXAC-SFVIIJALSA-N. The full InChI is InChI=1S/C13H23FN2O/c1-4-5-13(15)6-12(14)9-16-7-10(2)17-11(3)8-16/h4,6,10-11,13H,1,5,7-9,15H2,2-3H3/b12-6+/t10-,11+,13?.
What are the key properties of (5E)-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluorohepta-1,5-dien-4-amine?
(5E)-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluorohepta-1,5-dien-4-amine has a molecular weight of 242.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluorohepta-1,5-dien-4-amine is sourced from PubChem (CID 89154041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).