(2Z,4E)-7-(2,6-dimethylmorpholin-4-yl)-3-fluorohepta-2,4-dien-4-amine

C13H23FN2O — CID 89073839

IUPAC(2Z,4E)-7-(2,6-dimethylmorpholin-4-yl)-3-fluorohepta-2,4-dien-4-amine
SMILESC/C=C(F)/C(N)=C\CCN1CC(C)OC(C)C1
InChIInChI=1S/C13H23FN2O/c1-4-12(14)13(15)6-5-7-16-8-10(2)17-11(3)9-16/h4,6,10-11H,5,7-9,15H2,1-3H3/b12-4-,13-6+
InChIKeyMTPZUDIRANAOIG-HOEZMHCKSA-N
MW242.34 g/mol
LogP2.20
Rot. Bonds4

About (2Z,4E)-7-(2,6-dimethylmorpholin-4-yl)-3-fluorohepta-2,4-dien-4-amine

(2Z,4E)-7-(2,6-dimethylmorpholin-4-yl)-3-fluorohepta-2,4-dien-4-amine (PubChem CID 89073839) has the molecular formula C13H23FN2O and a molecular weight of 242.34 g/mol. Its IUPAC name is (2Z,4E)-7-(2,6-dimethylmorpholin-4-yl)-3-fluorohepta-2,4-dien-4-amine.

Molecular Properties

Compound Name(2Z,4E)-7-(2,6-dimethylmorpholin-4-yl)-3-fluorohepta-2,4-dien-4-amine
PubChem CID89073839
Molecular FormulaC13H23FN2O
Molecular Weight242.34 g/mol
Exact Mass242.18
IUPAC Name(2Z,4E)-7-(2,6-dimethylmorpholin-4-yl)-3-fluorohepta-2,4-dien-4-amine
SMILESC/C=C(F)/C(N)=C\CCN1CC(C)OC(C)C1
InChIInChI=1S/C13H23FN2O/c1-4-12(14)13(15)6-5-7-16-8-10(2)17-11(3)9-16/h4,6,10-11H,5,7-9,15H2,1-3H3/b12-4-,13-6+
InChIKeyMTPZUDIRANAOIG-HOEZMHCKSA-N
XLogP2.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.20
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 (2Z,4E)-7-(2,6-dimethylmorpholin-4-yl)-3-fluorohepta-2,4-dien-4-amine?
The IUPAC name of (2Z,4E)-7-(2,6-dimethylmorpholin-4-yl)-3-fluorohepta-2,4-dien-4-amine (CID 89073839) is (2Z,4E)-7-(2,6-dimethylmorpholin-4-yl)-3-fluorohepta-2,4-dien-4-amine.
What is the SMILES notation for (2Z,4E)-7-(2,6-dimethylmorpholin-4-yl)-3-fluorohepta-2,4-dien-4-amine?
The canonical SMILES for (2Z,4E)-7-(2,6-dimethylmorpholin-4-yl)-3-fluorohepta-2,4-dien-4-amine is C/C=C(F)/C(N)=C\CCN1CC(C)OC(C)C1.
What is the InChIKey of (2Z,4E)-7-(2,6-dimethylmorpholin-4-yl)-3-fluorohepta-2,4-dien-4-amine?
The InChIKey is MTPZUDIRANAOIG-HOEZMHCKSA-N. The full InChI is InChI=1S/C13H23FN2O/c1-4-12(14)13(15)6-5-7-16-8-10(2)17-11(3)9-16/h4,6,10-11H,5,7-9,15H2,1-3H3/b12-4-,13-6+.
What are the key properties of (2Z,4E)-7-(2,6-dimethylmorpholin-4-yl)-3-fluorohepta-2,4-dien-4-amine?
(2Z,4E)-7-(2,6-dimethylmorpholin-4-yl)-3-fluorohepta-2,4-dien-4-amine has a molecular weight of 242.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-7-(2,6-dimethylmorpholin-4-yl)-3-fluorohepta-2,4-dien-4-amine is sourced from PubChem (CID 89073839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).