(2E,4E)-5-fluoro-6-morpholin-4-ylhepta-2,4,6-trien-3-amine

C11H17FN2O — CID 143062168

IUPAC(2E,4E)-5-fluoro-6-morpholin-4-ylhepta-2,4,6-trien-3-amine
SMILESC=C(/C(F)=C\C(N)=C/C)N1CCOCC1
InChIInChI=1S/C11H17FN2O/c1-3-10(13)8-11(12)9(2)14-4-6-15-7-5-14/h3,8H,2,4-7,13H2,1H3/b10-3+,11-8+
InChIKeyKTDUDAOACFSZOI-BPWDCMFVSA-N
MW212.27 g/mol
LogP1.55
Rot. Bonds3

About (2E,4E)-5-fluoro-6-morpholin-4-ylhepta-2,4,6-trien-3-amine

(2E,4E)-5-fluoro-6-morpholin-4-ylhepta-2,4,6-trien-3-amine (PubChem CID 143062168) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is (2E,4E)-5-fluoro-6-morpholin-4-ylhepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4E)-5-fluoro-6-morpholin-4-ylhepta-2,4,6-trien-3-amine
PubChem CID143062168
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name(2E,4E)-5-fluoro-6-morpholin-4-ylhepta-2,4,6-trien-3-amine
SMILESC=C(/C(F)=C\C(N)=C/C)N1CCOCC1
InChIInChI=1S/C11H17FN2O/c1-3-10(13)8-11(12)9(2)14-4-6-15-7-5-14/h3,8H,2,4-7,13H2,1H3/b10-3+,11-8+
InChIKeyKTDUDAOACFSZOI-BPWDCMFVSA-N
XLogP1.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,6-difluorohexa-2,4-dien-2-amine
CID 89073873
(3E,5E)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,7-difluorohepta-1,3,5-trien-3-amine
CID 89154042
(3E,5Z)-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,6-difluorohepta-1,3,5-trien-2-amine
CID 89214778
4-[(2E,4E)-4-fluorohexa-2,4-dien-2-yl]-2,6-dimethylmorpholine
CID 89214988
(2E,4E)-1-(2,6-dimethylmorpholin-4-yl)-5-fluorohepta-2,4,6-trien-2-amine
CID 89215137
(2E,4Z)-1-fluoro-6-morpholin-4-ylhexa-2,4-dien-3-amine
CID 89774520
4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine
CID 135170053
(3E)-4-fluoro-5-morpholin-4-ylhexa-1,3,5-trien-2-amine
CID 142898847
4-[(3E)-3-fluoropenta-1,3-dien-2-yl]morpholine
CID 143431081
(3E)-3-fluoro-2-N-[3-[2-methoxyethyl(methyl)amino]butyl]-2-N-methylhexa-1,3,5-triene-2,5-diamine
CID 153631126
(2E,4Z)-3,5-difluoro-4-morpholin-4-ylhepta-2,4,6-trien-1-amine
CID 142263642
3-fluoro-N-methyl-4-morpholin-4-ylcyclohepta-2,4,6-trien-1-amine
CID 143162412

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-fluoro-6-morpholin-4-ylhepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4E)-5-fluoro-6-morpholin-4-ylhepta-2,4,6-trien-3-amine (CID 143062168) is (2E,4E)-5-fluoro-6-morpholin-4-ylhepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4E)-5-fluoro-6-morpholin-4-ylhepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4E)-5-fluoro-6-morpholin-4-ylhepta-2,4,6-trien-3-amine is C=C(/C(F)=C\C(N)=C/C)N1CCOCC1.
What is the InChIKey of (2E,4E)-5-fluoro-6-morpholin-4-ylhepta-2,4,6-trien-3-amine?
The InChIKey is KTDUDAOACFSZOI-BPWDCMFVSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-3-10(13)8-11(12)9(2)14-4-6-15-7-5-14/h3,8H,2,4-7,13H2,1H3/b10-3+,11-8+.
What are the key properties of (2E,4E)-5-fluoro-6-morpholin-4-ylhepta-2,4,6-trien-3-amine?
(2E,4E)-5-fluoro-6-morpholin-4-ylhepta-2,4,6-trien-3-amine has a molecular weight of 212.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-fluoro-6-morpholin-4-ylhepta-2,4,6-trien-3-amine is sourced from PubChem (CID 143062168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).