4,4,6-trimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-5,6-dihydro-1,3-oxazine

C19H21NO — CID 6447781

IUPAC4,4,6-trimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-5,6-dihydro-1,3-oxazine
SMILESCC1CC(C)(C)N=C(/C=C/c2cccc3ccccc23)O1
InChIInChI=1S/C19H21NO/c1-14-13-19(2,3)20-18(21-14)12-11-16-9-6-8-15-7-4-5-10-17(15)16/h4-12,14H,13H2,1-3H3/b12-11+
InChIKeyJCFOYWGXUYMOAF-VAWYXSNFSA-N
MW279.38 g/mol
LogP4.84
Rot. Bonds2

About 4,4,6-trimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-5,6-dihydro-1,3-oxazine

4,4,6-trimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-5,6-dihydro-1,3-oxazine (PubChem CID 6447781) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 4,4,6-trimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-5,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name4,4,6-trimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-5,6-dihydro-1,3-oxazine
PubChem CID6447781
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name4,4,6-trimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-5,6-dihydro-1,3-oxazine
SMILESCC1CC(C)(C)N=C(/C=C/c2cccc3ccccc23)O1
InChIInChI=1S/C19H21NO/c1-14-13-19(2,3)20-18(21-14)12-11-16-9-6-8-15-7-4-5-10-17(15)16/h4-12,14H,13H2,1-3H3/b12-11+
InChIKeyJCFOYWGXUYMOAF-VAWYXSNFSA-N
XLogP4.84
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4H-1,3-Oxazine, 5,6-dihydro-2-(2-(1-naphthalenyl)ethenyl)-4,4,6-trimethyl-, hydrochloride, (E)-
CID 6447780
4,4,6-Trimethyl-2-(naphthalen-1-ylmethyl)-5,6-dihydro-1,3-oxazine
CID 15340756
4,4,6-Trimethyl-2-(1-naphthalen-1-ylethyl)-5,6-dihydro-1,3-oxazine
CID 15340757
1-naphthalen-1-yl-N-(2-prop-2-enoxyethyl)ethanimine
CID 88657070
4,4,6-Trimethyl-2-(2-naphthalen-1-ylethenyl)-5,6-dihydro-1,3-oxazine;hydrochloride
CID 3063222
4,4,6-Trimethyl-2-(2-naphthalen-1-ylethenyl)-5,6-dihydro-1,3-oxazine
CID 3063223
4,6-dimethyl-2-naphthalen-1-yl-5,6-dihydro-4H-1,3-oxazine
CID 9547828
(4S,6R)-4,6-dimethyl-2-naphthalen-1-yl-5,6-dihydro-4H-1,3-oxazine
CID 25010936
4,4-Dimethyl-2-naphthalen-1-yl-5,6-dihydro-1,3-oxazine
CID 100923139
lithium 2-[1-(3,5-dimethylphenyl)-3H-naphthalen-3-id-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 177536186

Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-5,6-dihydro-1,3-oxazine?
The IUPAC name of 4,4,6-trimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-5,6-dihydro-1,3-oxazine (CID 6447781) is 4,4,6-trimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-5,6-dihydro-1,3-oxazine.
What is the SMILES notation for 4,4,6-trimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-5,6-dihydro-1,3-oxazine?
The canonical SMILES for 4,4,6-trimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-5,6-dihydro-1,3-oxazine is CC1CC(C)(C)N=C(/C=C/c2cccc3ccccc23)O1.
What is the InChIKey of 4,4,6-trimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-5,6-dihydro-1,3-oxazine?
The InChIKey is JCFOYWGXUYMOAF-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H21NO/c1-14-13-19(2,3)20-18(21-14)12-11-16-9-6-8-15-7-4-5-10-17(15)16/h4-12,14H,13H2,1-3H3/b12-11+.
What are the key properties of 4,4,6-trimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-5,6-dihydro-1,3-oxazine?
4,4,6-trimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-5,6-dihydro-1,3-oxazine has a molecular weight of 279.38 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-5,6-dihydro-1,3-oxazine is sourced from PubChem (CID 6447781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).