ethane;(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine

C15H25N3O — CID 145202705

IUPACethane;(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine
SMILESC=CC1=C(/C=C(/N)C=C)OCC2CNCCN12.CC
InChIInChI=1S/C13H19N3O.C2H6/c1-3-10(14)7-13-12(4-2)16-6-5-15-8-11(16)9-17-13;1-2/h3-4,7,11,15H,1-2,5-6,8-9,14H2;1-2H3/b10-7+;
InChIKeyFZCOELDSWNYCFK-HCUGZAAXSA-N
MW263.38 g/mol
LogP1.74
Rot. Bonds3

About ethane;(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine

ethane;(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine (PubChem CID 145202705) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is ethane;(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine.

Molecular Properties

Compound Nameethane;(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine
PubChem CID145202705
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Nameethane;(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine
SMILESC=CC1=C(/C=C(/N)C=C)OCC2CNCCN12.CC
InChIInChI=1S/C13H19N3O.C2H6/c1-3-10(14)7-13-12(4-2)16-6-5-15-8-11(16)9-17-13;1-2/h3-4,7,11,15H,1-2,5-6,8-9,14H2;1-2H3/b10-7+;
InChIKeyFZCOELDSWNYCFK-HCUGZAAXSA-N
XLogP1.74
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine with MolForge

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Related Compounds

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4-[2-[(3Z,5Z)-4-piperazin-1-ylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine
CID 142156440
1-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]piperazine
CID 142202925
1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]piperazine
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Ethane;molecular hydrogen;9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene
CID 142373538
ethane;3-ethenyl-4-[(E)-2-nitroprop-1-enyl]-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
CID 142373659
ethane;4-ethenyl-3-[(E)-2-nitroprop-1-enyl]-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
CID 142373665
(2E,3Z)-2-[(Z)-but-2-enylidene]-3-ethylidenemorpholine
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Frequently Asked Questions

What is the IUPAC name of ethane;(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine?
The IUPAC name of ethane;(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine (CID 145202705) is ethane;(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine.
What is the SMILES notation for ethane;(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine?
The canonical SMILES for ethane;(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine is C=CC1=C(/C=C(/N)C=C)OCC2CNCCN12.CC.
What is the InChIKey of ethane;(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine?
The InChIKey is FZCOELDSWNYCFK-HCUGZAAXSA-N. The full InChI is InChI=1S/C13H19N3O.C2H6/c1-3-10(14)7-13-12(4-2)16-6-5-15-8-11(16)9-17-13;1-2/h3-4,7,11,15H,1-2,5-6,8-9,14H2;1-2H3/b10-7+;.
What are the key properties of ethane;(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine?
ethane;(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine has a molecular weight of 263.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine is sourced from PubChem (CID 145202705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).