(2E)-2-[(2-ethenyl-5-methylidene-4H-1,4-oxazin-3-yl)methylidene]-N-methylbutan-1-amine

C13H20N2O — CID 143345893

IUPAC(2E)-2-[(2-ethenyl-5-methylidene-4H-1,4-oxazin-3-yl)methylidene]-N-methylbutan-1-amine
SMILESC=CC1=C(/C=C(\CC)CNC)NC(=C)CO1
InChIInChI=1S/C13H20N2O/c1-5-11(8-14-4)7-12-13(6-2)16-9-10(3)15-12/h6-7,14-15H,2-3,5,8-9H2,1,4H3/b11-7+
InChIKeyWBEBIVBIPFQGFD-YRNVUSSQSA-N
MW220.32 g/mol
LogP2.07
Rot. Bonds5

About (2E)-2-[(2-ethenyl-5-methylidene-4H-1,4-oxazin-3-yl)methylidene]-N-methylbutan-1-amine

(2E)-2-[(2-ethenyl-5-methylidene-4H-1,4-oxazin-3-yl)methylidene]-N-methylbutan-1-amine (PubChem CID 143345893) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2E)-2-[(2-ethenyl-5-methylidene-4H-1,4-oxazin-3-yl)methylidene]-N-methylbutan-1-amine.

Molecular Properties

Compound Name(2E)-2-[(2-ethenyl-5-methylidene-4H-1,4-oxazin-3-yl)methylidene]-N-methylbutan-1-amine
PubChem CID143345893
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2E)-2-[(2-ethenyl-5-methylidene-4H-1,4-oxazin-3-yl)methylidene]-N-methylbutan-1-amine
SMILESC=CC1=C(/C=C(\CC)CNC)NC(=C)CO1
InChIInChI=1S/C13H20N2O/c1-5-11(8-14-4)7-12-13(6-2)16-9-10(3)15-12/h6-7,14-15H,2-3,5,8-9H2,1,4H3/b11-7+
InChIKeyWBEBIVBIPFQGFD-YRNVUSSQSA-N
XLogP2.07
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2E)-2-[(2-ethenyl-5-methylidene-4H-1,4-oxazin-3-yl)methylidene]-N-methylbutan-1-amine with MolForge

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Related Compounds

5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 70330097
6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine
CID 87096481
6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 89334732
4-[(6-Methyl-1,2-dihydropyridin-3-yl)oxy]cyclohexa-2,4-dien-1-amine
CID 89639811
N-ethyl-6-methoxy-4-(pyrrolidin-1-ylmethylidene)cyclohexa-1,5-dien-1-amine
CID 90458043
(3E,5Z,7E)-8-methoxy-N-(2-methoxyethyl)-4,6-dimethylnona-1,3,5,7-tetraen-5-amine
CID 118146496
(3Z,5Z)-6-N-[(E)-3-methylpent-2-en-2-yl]-5-(2-pyrrolidin-1-ylethoxy)hepta-1,3,5-triene-2,6-diamine
CID 129236607
(3E)-3-[(Z)-2-methylbut-2-enylidene]-2-methylidene-1,4-oxazepane
CID 130320370
2-Methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine
CID 130340457
6-methyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine
CID 138527721
5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine
CID 139397113
8-Methyl-4,6-dihydrocyclohepta[b][1,4]oxazine
CID 141792199

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2-ethenyl-5-methylidene-4H-1,4-oxazin-3-yl)methylidene]-N-methylbutan-1-amine?
The IUPAC name of (2E)-2-[(2-ethenyl-5-methylidene-4H-1,4-oxazin-3-yl)methylidene]-N-methylbutan-1-amine (CID 143345893) is (2E)-2-[(2-ethenyl-5-methylidene-4H-1,4-oxazin-3-yl)methylidene]-N-methylbutan-1-amine.
What is the SMILES notation for (2E)-2-[(2-ethenyl-5-methylidene-4H-1,4-oxazin-3-yl)methylidene]-N-methylbutan-1-amine?
The canonical SMILES for (2E)-2-[(2-ethenyl-5-methylidene-4H-1,4-oxazin-3-yl)methylidene]-N-methylbutan-1-amine is C=CC1=C(/C=C(\CC)CNC)NC(=C)CO1.
What is the InChIKey of (2E)-2-[(2-ethenyl-5-methylidene-4H-1,4-oxazin-3-yl)methylidene]-N-methylbutan-1-amine?
The InChIKey is WBEBIVBIPFQGFD-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-11(8-14-4)7-12-13(6-2)16-9-10(3)15-12/h6-7,14-15H,2-3,5,8-9H2,1,4H3/b11-7+.
What are the key properties of (2E)-2-[(2-ethenyl-5-methylidene-4H-1,4-oxazin-3-yl)methylidene]-N-methylbutan-1-amine?
(2E)-2-[(2-ethenyl-5-methylidene-4H-1,4-oxazin-3-yl)methylidene]-N-methylbutan-1-amine has a molecular weight of 220.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2-ethenyl-5-methylidene-4H-1,4-oxazin-3-yl)methylidene]-N-methylbutan-1-amine is sourced from PubChem (CID 143345893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).