[5-[(1Z)-buta-1,3-dienyl]-6-methyl-2,3-dihydro-1,4-dioxin-2-yl]methanamine

C10H15NO2 — CID 142975018

IUPAC[5-[(1Z)-buta-1,3-dienyl]-6-methyl-2,3-dihydro-1,4-dioxin-2-yl]methanamine
SMILESC=C/C=C\C1=C(C)OC(CN)CO1
InChIInChI=1S/C10H15NO2/c1-3-4-5-10-8(2)13-9(6-11)7-12-10/h3-5,9H,1,6-7,11H2,2H3/b5-4-
InChIKeyXYAPAZAGQMJVRK-PLNGDYQASA-N
MW181.23 g/mol
LogP1.33
Rot. Bonds3

About [5-[(1Z)-buta-1,3-dienyl]-6-methyl-2,3-dihydro-1,4-dioxin-2-yl]methanamine

[5-[(1Z)-buta-1,3-dienyl]-6-methyl-2,3-dihydro-1,4-dioxin-2-yl]methanamine (PubChem CID 142975018) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is [5-[(1Z)-buta-1,3-dienyl]-6-methyl-2,3-dihydro-1,4-dioxin-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(1Z)-buta-1,3-dienyl]-6-methyl-2,3-dihydro-1,4-dioxin-2-yl]methanamine
PubChem CID142975018
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name[5-[(1Z)-buta-1,3-dienyl]-6-methyl-2,3-dihydro-1,4-dioxin-2-yl]methanamine
SMILESC=C/C=C\C1=C(C)OC(CN)CO1
InChIInChI=1S/C10H15NO2/c1-3-4-5-10-8(2)13-9(6-11)7-12-10/h3-5,9H,1,6-7,11H2,2H3/b5-4-
InChIKeyXYAPAZAGQMJVRK-PLNGDYQASA-N
XLogP1.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-Methoxypyramine
CID 129712075
[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
1-Amino-3-penta-1,3-dien-3-yloxypropan-2-ol
CID 123651859
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
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
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 [5-[(1Z)-buta-1,3-dienyl]-6-methyl-2,3-dihydro-1,4-dioxin-2-yl]methanamine?
The IUPAC name of [5-[(1Z)-buta-1,3-dienyl]-6-methyl-2,3-dihydro-1,4-dioxin-2-yl]methanamine (CID 142975018) is [5-[(1Z)-buta-1,3-dienyl]-6-methyl-2,3-dihydro-1,4-dioxin-2-yl]methanamine.
What is the SMILES notation for [5-[(1Z)-buta-1,3-dienyl]-6-methyl-2,3-dihydro-1,4-dioxin-2-yl]methanamine?
The canonical SMILES for [5-[(1Z)-buta-1,3-dienyl]-6-methyl-2,3-dihydro-1,4-dioxin-2-yl]methanamine is C=C/C=C\C1=C(C)OC(CN)CO1.
What is the InChIKey of [5-[(1Z)-buta-1,3-dienyl]-6-methyl-2,3-dihydro-1,4-dioxin-2-yl]methanamine?
The InChIKey is XYAPAZAGQMJVRK-PLNGDYQASA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-4-5-10-8(2)13-9(6-11)7-12-10/h3-5,9H,1,6-7,11H2,2H3/b5-4-.
What are the key properties of [5-[(1Z)-buta-1,3-dienyl]-6-methyl-2,3-dihydro-1,4-dioxin-2-yl]methanamine?
[5-[(1Z)-buta-1,3-dienyl]-6-methyl-2,3-dihydro-1,4-dioxin-2-yl]methanamine has a molecular weight of 181.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1Z)-buta-1,3-dienyl]-6-methyl-2,3-dihydro-1,4-dioxin-2-yl]methanamine is sourced from PubChem (CID 142975018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).