4-methyl-4,6-di(propan-2-yl)oxazine

C11H19NO — CID 174311289

IUPAC4-methyl-4,6-di(propan-2-yl)oxazine
SMILESCC(C)C1=CC(C)(C(C)C)C=NO1
InChIInChI=1S/C11H19NO/c1-8(2)10-6-11(5,9(3)4)7-12-13-10/h6-9H,1-5H3
InChIKeyZJXWRDZKEJRFIC-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.20
Rot. Bonds2

About 4-methyl-4,6-di(propan-2-yl)oxazine

4-methyl-4,6-di(propan-2-yl)oxazine (PubChem CID 174311289) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-methyl-4,6-di(propan-2-yl)oxazine.

Molecular Properties

Compound Name4-methyl-4,6-di(propan-2-yl)oxazine
PubChem CID174311289
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-methyl-4,6-di(propan-2-yl)oxazine
SMILESCC(C)C1=CC(C)(C(C)C)C=NO1
InChIInChI=1S/C11H19NO/c1-8(2)10-6-11(5,9(3)4)7-12-13-10/h6-9H,1-5H3
InChIKeyZJXWRDZKEJRFIC-UHFFFAOYSA-N
XLogP3.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-6-methyl-4H-oxazine
CID 123962480
6-(2,2-dimethylpropyl)-4H-oxazine
CID 129276517
(Z)-2-tert-butyl-N-ethoxy-2,4-dimethylpent-3-en-1-imine
CID 143698077
2-Methylpropane;4,4,6-trimethyloxazine
CID 155597159

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4,6-di(propan-2-yl)oxazine?
The IUPAC name of 4-methyl-4,6-di(propan-2-yl)oxazine (CID 174311289) is 4-methyl-4,6-di(propan-2-yl)oxazine.
What is the SMILES notation for 4-methyl-4,6-di(propan-2-yl)oxazine?
The canonical SMILES for 4-methyl-4,6-di(propan-2-yl)oxazine is CC(C)C1=CC(C)(C(C)C)C=NO1.
What is the InChIKey of 4-methyl-4,6-di(propan-2-yl)oxazine?
The InChIKey is ZJXWRDZKEJRFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)10-6-11(5,9(3)4)7-12-13-10/h6-9H,1-5H3.
What are the key properties of 4-methyl-4,6-di(propan-2-yl)oxazine?
4-methyl-4,6-di(propan-2-yl)oxazine has a molecular weight of 181.28 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4,6-di(propan-2-yl)oxazine is sourced from PubChem (CID 174311289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).