4,4,6-trimethyloxazine

C7H11NO — CID 123976954

IUPAC4,4,6-trimethyloxazine
SMILESCC1=CC(C)(C)C=NO1
InChIInChI=1S/C7H11NO/c1-6-4-7(2,3)5-8-9-6/h4-5H,1-3H3
InChIKeyBAQIIOQTWPLTLV-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.93
Rot. Bonds

About 4,4,6-trimethyloxazine

4,4,6-trimethyloxazine (PubChem CID 123976954) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4,4,6-trimethyloxazine.

Molecular Properties

Compound Name4,4,6-trimethyloxazine
PubChem CID123976954
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4,4,6-trimethyloxazine
SMILESCC1=CC(C)(C)C=NO1
InChIInChI=1S/C7H11NO/c1-6-4-7(2,3)5-8-9-6/h4-5H,1-3H3
InChIKeyBAQIIOQTWPLTLV-UHFFFAOYSA-N
XLogP1.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoro-4,6-dimethyloxazine
CID 123497972
(4S)-4-fluoro-4,6-dimethyloxazine
CID 144170222
6-methyl-4H-oxazine
CID 53748597
5,6-dimethyl-4H-oxazine
CID 68315585
N-(4,4-dimethylpent-2-en-3-yloxy)ethanimine
CID 91212400
4-ethyl-6-methyl-4H-oxazine
CID 123962480
6-(2,2-dimethylpropyl)-4H-oxazine
CID 129276517
4,6-dimethyl-4H-oxazine
CID 141827085
4,4-dimethyl-6-[(E)-prop-1-enyl]oxazine
CID 155597021
2-Methylpropane;4,4,6-trimethyloxazine
CID 155597159
4,4-Dimethyl-6-prop-1-en-2-yloxazine
CID 163933933
(Z)-N-[(Z)-4,4-dimethylpent-2-en-3-yl]oxyethanimine
CID 170035529

Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyloxazine?
The IUPAC name of 4,4,6-trimethyloxazine (CID 123976954) is 4,4,6-trimethyloxazine.
What is the SMILES notation for 4,4,6-trimethyloxazine?
The canonical SMILES for 4,4,6-trimethyloxazine is CC1=CC(C)(C)C=NO1.
What is the InChIKey of 4,4,6-trimethyloxazine?
The InChIKey is BAQIIOQTWPLTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-4-7(2,3)5-8-9-6/h4-5H,1-3H3.
What are the key properties of 4,4,6-trimethyloxazine?
4,4,6-trimethyloxazine has a molecular weight of 125.17 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyloxazine is sourced from PubChem (CID 123976954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).