(5E)-2-(2,6-dimethylmorpholin-4-yl)-6-fluorohexa-1,5-dien-3-amine

C12H21FN2O — CID 89154150

IUPAC(5E)-2-(2,6-dimethylmorpholin-4-yl)-6-fluorohexa-1,5-dien-3-amine
SMILESC=C(C(N)C/C=C/F)N1CC(C)OC(C)C1
InChIInChI=1S/C12H21FN2O/c1-9-7-15(8-10(2)16-9)11(3)12(14)5-4-6-13/h4,6,9-10,12H,3,5,7-8,14H2,1-2H3/b6-4+
InChIKeyDMLKJNAEISYSKN-GQCTYLIASA-N
MW228.31 g/mol
LogP1.81
Rot. Bonds4

About (5E)-2-(2,6-dimethylmorpholin-4-yl)-6-fluorohexa-1,5-dien-3-amine

(5E)-2-(2,6-dimethylmorpholin-4-yl)-6-fluorohexa-1,5-dien-3-amine (PubChem CID 89154150) has the molecular formula C12H21FN2O and a molecular weight of 228.31 g/mol. Its IUPAC name is (5E)-2-(2,6-dimethylmorpholin-4-yl)-6-fluorohexa-1,5-dien-3-amine.

Molecular Properties

Compound Name(5E)-2-(2,6-dimethylmorpholin-4-yl)-6-fluorohexa-1,5-dien-3-amine
PubChem CID89154150
Molecular FormulaC12H21FN2O
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC Name(5E)-2-(2,6-dimethylmorpholin-4-yl)-6-fluorohexa-1,5-dien-3-amine
SMILESC=C(C(N)C/C=C/F)N1CC(C)OC(C)C1
InChIInChI=1S/C12H21FN2O/c1-9-7-15(8-10(2)16-9)11(3)12(14)5-4-6-13/h4,6,9-10,12H,3,5,7-8,14H2,1-2H3/b6-4+
InChIKeyDMLKJNAEISYSKN-GQCTYLIASA-N
XLogP1.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine
CID 70892383
2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-N-methylcyclohexa-2,4-dien-1-amine
CID 70892573
(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
(2E,4E)-1-(2,6-dimethylmorpholin-4-yl)-5-fluorohepta-2,4,6-trien-2-amine
CID 89215137
(3R,5E)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]octa-1,5-dien-3-amine
CID 89073742
(Z)-1-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]pent-1-ene-1,3-diamine
CID 130179835
2-Morpholin-4-ylpent-1-en-3-amine
CID 144311197
2-(2-ethylmorpholin-4-yl)-N-prop-2-enylpropan-1-amine
CID 62570275
N-(1-morpholin-4-ylpropan-2-yl)pent-4-en-1-amine
CID 64313974
1-(4-Methylmorpholin-2-yl)prop-2-en-1-amine
CID 79093618

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(2,6-dimethylmorpholin-4-yl)-6-fluorohexa-1,5-dien-3-amine?
The IUPAC name of (5E)-2-(2,6-dimethylmorpholin-4-yl)-6-fluorohexa-1,5-dien-3-amine (CID 89154150) is (5E)-2-(2,6-dimethylmorpholin-4-yl)-6-fluorohexa-1,5-dien-3-amine.
What is the SMILES notation for (5E)-2-(2,6-dimethylmorpholin-4-yl)-6-fluorohexa-1,5-dien-3-amine?
The canonical SMILES for (5E)-2-(2,6-dimethylmorpholin-4-yl)-6-fluorohexa-1,5-dien-3-amine is C=C(C(N)C/C=C/F)N1CC(C)OC(C)C1.
What is the InChIKey of (5E)-2-(2,6-dimethylmorpholin-4-yl)-6-fluorohexa-1,5-dien-3-amine?
The InChIKey is DMLKJNAEISYSKN-GQCTYLIASA-N. The full InChI is InChI=1S/C12H21FN2O/c1-9-7-15(8-10(2)16-9)11(3)12(14)5-4-6-13/h4,6,9-10,12H,3,5,7-8,14H2,1-2H3/b6-4+.
What are the key properties of (5E)-2-(2,6-dimethylmorpholin-4-yl)-6-fluorohexa-1,5-dien-3-amine?
(5E)-2-(2,6-dimethylmorpholin-4-yl)-6-fluorohexa-1,5-dien-3-amine has a molecular weight of 228.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(2,6-dimethylmorpholin-4-yl)-6-fluorohexa-1,5-dien-3-amine is sourced from PubChem (CID 89154150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).