ethane;[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine

C12H21NO2 — CID 143497186

IUPACethane;[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine
SMILESC=C/C=C1/OC(CN)CO/C1=C/C.CC
InChIInChI=1S/C10H15NO2.C2H6/c1-3-5-10-9(4-2)12-7-8(6-11)13-10;1-2/h3-5,8H,1,6-7,11H2,2H3;1-2H3/b9-4+,10-5+;
InChIKeyCJZKRUZARLDDPL-YNFZUOQGSA-N
MW211.30 g/mol
LogP2.36
Rot. Bonds2

About ethane;[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine

ethane;[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine (PubChem CID 143497186) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethane;[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine.

Molecular Properties

Compound Nameethane;[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine
PubChem CID143497186
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethane;[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine
SMILESC=C/C=C1/OC(CN)CO/C1=C/C.CC
InChIInChI=1S/C10H15NO2.C2H6/c1-3-5-10-9(4-2)12-7-8(6-11)13-10;1-2/h3-5,8H,1,6-7,11H2,2H3;1-2H3/b9-4+,10-5+;
InChIKeyCJZKRUZARLDDPL-YNFZUOQGSA-N
XLogP2.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;[(5E,6E)-5-ethylidene-6-prop-2-enylidene-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
[(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine
CID 143523656
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 ethane;[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine?
The IUPAC name of ethane;[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine (CID 143497186) is ethane;[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine.
What is the SMILES notation for ethane;[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine?
The canonical SMILES for ethane;[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine is C=C/C=C1/OC(CN)CO/C1=C/C.CC.
What is the InChIKey of ethane;[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine?
The InChIKey is CJZKRUZARLDDPL-YNFZUOQGSA-N. The full InChI is InChI=1S/C10H15NO2.C2H6/c1-3-5-10-9(4-2)12-7-8(6-11)13-10;1-2/h3-5,8H,1,6-7,11H2,2H3;1-2H3/b9-4+,10-5+;.
What are the key properties of ethane;[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine?
ethane;[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine has a molecular weight of 211.30 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine is sourced from PubChem (CID 143497186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).