4-[5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]aniline;ethane

C16H22N2O — CID 155701198

IUPAC4-[5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]aniline;ethane
SMILESC=CC1=C(C=C)N(c2ccc(N)cc2)CCO1.CC
InChIInChI=1S/C14H16N2O.C2H6/c1-3-13-14(4-2)17-10-9-16(13)12-7-5-11(15)6-8-12;1-2/h3-8H,1-2,9-10,15H2;1-2H3
InChIKeyLTRQIIGPHIHQLC-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.72
Rot. Bonds3

About 4-[5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]aniline;ethane

4-[5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]aniline;ethane (PubChem CID 155701198) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-[5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]aniline;ethane.

Molecular Properties

Compound Name4-[5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]aniline;ethane
PubChem CID155701198
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4-[5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]aniline;ethane
SMILESC=CC1=C(C=C)N(c2ccc(N)cc2)CCO1.CC
InChIInChI=1S/C14H16N2O.C2H6/c1-3-13-14(4-2)17-10-9-16(13)12-7-5-11(15)6-8-12;1-2/h3-8H,1-2,9-10,15H2;1-2H3
InChIKeyLTRQIIGPHIHQLC-UHFFFAOYSA-N
XLogP3.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Benzenamine, 4-(4-morpholinyl)-
CID 75655
2-(4-Amino-N-ethylanilino)ethanol
CID 66713
3-Fluoro-4-morpholinoaniline
CID 1485330
N-[2-(morpholin-4-yl)ethyl]aniline
CID 2737013
4-(4-(Oxetan-3-yl)piperazin-1-yl)aniline
CID 68194799
Benzenamine, N,N-dimethyl-4-(4-morpholinyl)-
CID 11264229
N-Methoxyethyl-p-phenylenediamine dihydrochloride
CID 3018350
4-(2-Methylmorpholin-4-YL)aniline
CID 16775103
3,5-Difluoro-4-(morpholin-4-yl)aniline
CID 21878168
N-(2-Ethoxyethyl)aniline
CID 3015953
1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 3018351
Methoxyphenylpiperazine
CID 20200458

Frequently Asked Questions

What is the IUPAC name of 4-[5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]aniline;ethane?
The IUPAC name of 4-[5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]aniline;ethane (CID 155701198) is 4-[5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]aniline;ethane.
What is the SMILES notation for 4-[5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]aniline;ethane?
The canonical SMILES for 4-[5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]aniline;ethane is C=CC1=C(C=C)N(c2ccc(N)cc2)CCO1.CC.
What is the InChIKey of 4-[5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]aniline;ethane?
The InChIKey is LTRQIIGPHIHQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O.C2H6/c1-3-13-14(4-2)17-10-9-16(13)12-7-5-11(15)6-8-12;1-2/h3-8H,1-2,9-10,15H2;1-2H3.
What are the key properties of 4-[5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]aniline;ethane?
4-[5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]aniline;ethane has a molecular weight of 258.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]aniline;ethane is sourced from PubChem (CID 155701198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).