(3E,5E)-6-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-amine

C13H22N2O — CID 89215091

IUPAC(3E,5E)-6-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-amine
SMILESC=C/C(N)=C\C=C(/C)N1CC(C)OC(C)C1
InChIInChI=1S/C13H22N2O/c1-5-13(14)7-6-10(2)15-8-11(3)16-12(4)9-15/h5-7,11-12H,1,8-9,14H2,2-4H3/b10-6+,13-7+
InChIKeyNDDIIXTZLULIHH-OIGXVCCLSA-N
MW222.33 g/mol
LogP2.03
Rot. Bonds3

About (3E,5E)-6-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-amine

(3E,5E)-6-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-amine (PubChem CID 89215091) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (3E,5E)-6-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5E)-6-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-amine
PubChem CID89215091
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(3E,5E)-6-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-amine
SMILESC=C/C(N)=C\C=C(/C)N1CC(C)OC(C)C1
InChIInChI=1S/C13H22N2O/c1-5-13(14)7-6-10(2)15-8-11(3)16-12(4)9-15/h5-7,11-12H,1,8-9,14H2,2-4H3/b10-6+,13-7+
InChIKeyNDDIIXTZLULIHH-OIGXVCCLSA-N
XLogP2.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.03
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 (3E,5E)-6-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5E)-6-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-amine (CID 89215091) is (3E,5E)-6-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5E)-6-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5E)-6-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-amine is C=C/C(N)=C\C=C(/C)N1CC(C)OC(C)C1.
What is the InChIKey of (3E,5E)-6-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-amine?
The InChIKey is NDDIIXTZLULIHH-OIGXVCCLSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-13(14)7-6-10(2)15-8-11(3)16-12(4)9-15/h5-7,11-12H,1,8-9,14H2,2-4H3/b10-6+,13-7+.
What are the key properties of (3E,5E)-6-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-amine?
(3E,5E)-6-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-amine has a molecular weight of 222.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-3-amine is sourced from PubChem (CID 89215091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).