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

C11H17NO2 — CID 143523656

IUPAC[(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine
SMILESC/C=C\C=C1\OC(CN)CO\C1=C\C
InChIInChI=1S/C11H17NO2/c1-3-5-6-11-10(4-2)13-8-9(7-12)14-11/h3-6,9H,7-8,12H2,1-2H3/b5-3-,10-4+,11-6+
InChIKeyKDTKEODTFMPRRW-JCQFFWSUSA-N
MW195.26 g/mol
LogP1.72
Rot. Bonds2

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

[(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine (PubChem CID 143523656) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is [(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine.

Molecular Properties

Compound Name[(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine
PubChem CID143523656
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name[(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine
SMILESC/C=C\C=C1\OC(CN)CO\C1=C\C
InChIInChI=1S/C11H17NO2/c1-3-5-6-11-10(4-2)13-8-9(7-12)14-11/h3-6,9H,7-8,12H2,1-2H3/b5-3-,10-4+,11-6+
InChIKeyKDTKEODTFMPRRW-JCQFFWSUSA-N
XLogP1.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

[6-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]methylhydrazine
CID 88997249
1-Amino-3-hexa-2,4-dien-3-yloxypropan-2-ol
CID 90726226
2-[(3E)-3-(2-aminoethoxy)penta-1,3-dien-2-yl]oxyethanamine
CID 139310927
[5,6-Bis(ethenyl)-2,3-dihydro-1,4-dioxin-2-yl]methanamine
CID 141774960
1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine
CID 142260505
1-amino-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypropan-2-ol;ethane
CID 142355286
[5-[(1Z)-buta-1,3-dienyl]-6-methyl-2,3-dihydro-1,4-dioxin-2-yl]methanamine
CID 142975018
1-[[(5E)-5-[(Z)-but-2-enylidene]-6-methylidene-1,4-dioxan-2-yl]methyl]-2-methylhydrazine
CID 143170906
[(5E)-5-[(3Z,6Z)-7-methoxy-5-methylidene-6-[(Z)-prop-1-enyl]nona-3,6,8-trienylidene]-1,4-dioxan-2-yl]methanamine
CID 143319979
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
2-[(5E,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-1,4-dioxan-2-yl]ethanamine
CID 143584909

Frequently Asked Questions

What is the IUPAC name of [(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine?
The IUPAC name of [(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine (CID 143523656) is [(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine.
What is the SMILES notation for [(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine?
The canonical SMILES for [(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine is C/C=C\C=C1\OC(CN)CO\C1=C\C.
What is the InChIKey of [(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine?
The InChIKey is KDTKEODTFMPRRW-JCQFFWSUSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-5-6-11-10(4-2)13-8-9(7-12)14-11/h3-6,9H,7-8,12H2,1-2H3/b5-3-,10-4+,11-6+.
What are the key properties of [(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine?
[(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine has a molecular weight of 195.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine is sourced from PubChem (CID 143523656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).