2-[(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-1,4-dioxan-2-yl]ethanamine

C13H19NO2 — CID 143584909

IUPAC2-[(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-1,4-dioxan-2-yl]ethanamine
SMILESC=C/C=C1/OC(CCN)CO/C1=C/C=C\C
InChIInChI=1S/C13H19NO2/c1-3-5-7-12-13(6-4-2)16-11(8-9-14)10-15-12/h3-7,11H,2,8-10,14H2,1H3/b5-3-,12-7+,13-6+
InChIKeyPYKQPADIGSQZJA-FXTFRKPJSA-N
MW221.30 g/mol
LogP2.28
Rot. Bonds4

About 2-[(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-1,4-dioxan-2-yl]ethanamine

2-[(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-1,4-dioxan-2-yl]ethanamine (PubChem CID 143584909) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-1,4-dioxan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-1,4-dioxan-2-yl]ethanamine
PubChem CID143584909
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-1,4-dioxan-2-yl]ethanamine
SMILESC=C/C=C1/OC(CCN)CO/C1=C/C=C\C
InChIInChI=1S/C13H19NO2/c1-3-5-7-12-13(6-4-2)16-11(8-9-14)10-15-12/h3-7,11H,2,8-10,14H2,1H3/b5-3-,12-7+,13-6+
InChIKeyPYKQPADIGSQZJA-FXTFRKPJSA-N
XLogP2.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-1,4-dioxan-2-yl]ethanamine with MolForge

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Related Compounds

[5-[(1Z)-buta-1,3-dienyl]-6-methyl-2,3-dihydro-1,4-dioxin-2-yl]methanamine
CID 142975018
2-[(5E,6E)-5-[(Z)-but-2-enylidene]-6-ethylidene-1,4-dioxan-2-yl]ethanamine
CID 143496725
ethane;[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine
CID 143497186
[(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine
CID 143523656
[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine
CID 143497187

Frequently Asked Questions

What is the IUPAC name of 2-[(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-1,4-dioxan-2-yl]ethanamine?
The IUPAC name of 2-[(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-1,4-dioxan-2-yl]ethanamine (CID 143584909) is 2-[(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-1,4-dioxan-2-yl]ethanamine.
What is the SMILES notation for 2-[(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-1,4-dioxan-2-yl]ethanamine?
The canonical SMILES for 2-[(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-1,4-dioxan-2-yl]ethanamine is C=C/C=C1/OC(CCN)CO/C1=C/C=C\C.
What is the InChIKey of 2-[(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-1,4-dioxan-2-yl]ethanamine?
The InChIKey is PYKQPADIGSQZJA-FXTFRKPJSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-5-7-12-13(6-4-2)16-11(8-9-14)10-15-12/h3-7,11H,2,8-10,14H2,1H3/b5-3-,12-7+,13-6+.
What are the key properties of 2-[(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-1,4-dioxan-2-yl]ethanamine?
2-[(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-1,4-dioxan-2-yl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-1,4-dioxan-2-yl]ethanamine is sourced from PubChem (CID 143584909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).