(5Z)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,7-difluorohepta-1,5-dien-3-amine

C13H22F2N2O — CID 89153883

IUPAC(5Z)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,7-difluorohepta-1,5-dien-3-amine
SMILESC=CC(N)C/C(F)=C(\CF)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H22F2N2O/c1-4-11(16)5-12(15)13(6-14)17-7-9(2)18-10(3)8-17/h4,9-11H,1,5-8,16H2,2-3H3/b13-12-/t9-,10+,11?
InChIKeyRCTKGNJNYMXEKF-CCUJEJBXSA-N
MW260.33 g/mol
LogP2.15
Rot. Bonds5

About (5Z)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,7-difluorohepta-1,5-dien-3-amine

(5Z)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,7-difluorohepta-1,5-dien-3-amine (PubChem CID 89153883) has the molecular formula C13H22F2N2O and a molecular weight of 260.33 g/mol. Its IUPAC name is (5Z)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,7-difluorohepta-1,5-dien-3-amine.

Molecular Properties

Compound Name(5Z)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,7-difluorohepta-1,5-dien-3-amine
PubChem CID89153883
Molecular FormulaC13H22F2N2O
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name(5Z)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,7-difluorohepta-1,5-dien-3-amine
SMILESC=CC(N)C/C(F)=C(\CF)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H22F2N2O/c1-4-11(16)5-12(15)13(6-14)17-7-9(2)18-10(3)8-17/h4,9-11H,1,5-8,16H2,2-3H3/b13-12-/t9-,10+,11?
InChIKeyRCTKGNJNYMXEKF-CCUJEJBXSA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.15
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 (5Z)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,7-difluorohepta-1,5-dien-3-amine?
The IUPAC name of (5Z)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,7-difluorohepta-1,5-dien-3-amine (CID 89153883) is (5Z)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,7-difluorohepta-1,5-dien-3-amine.
What is the SMILES notation for (5Z)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,7-difluorohepta-1,5-dien-3-amine?
The canonical SMILES for (5Z)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,7-difluorohepta-1,5-dien-3-amine is C=CC(N)C/C(F)=C(\CF)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (5Z)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,7-difluorohepta-1,5-dien-3-amine?
The InChIKey is RCTKGNJNYMXEKF-CCUJEJBXSA-N. The full InChI is InChI=1S/C13H22F2N2O/c1-4-11(16)5-12(15)13(6-14)17-7-9(2)18-10(3)8-17/h4,9-11H,1,5-8,16H2,2-3H3/b13-12-/t9-,10+,11?.
What are the key properties of (5Z)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,7-difluorohepta-1,5-dien-3-amine?
(5Z)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,7-difluorohepta-1,5-dien-3-amine has a molecular weight of 260.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,7-difluorohepta-1,5-dien-3-amine is sourced from PubChem (CID 89153883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).