6-tert-butyl-3-methyl-4H-oxazine

C9H15NO — CID 143053398

IUPAC6-tert-butyl-3-methyl-4H-oxazine
SMILESCC1=NOC(C(C)(C)C)=CC1
InChIInChI=1S/C9H15NO/c1-7-5-6-8(11-10-7)9(2,3)4/h6H,5H2,1-4H3
InChIKeyNZNNCVOITVDIAJ-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.71
Rot. Bonds

About 6-tert-butyl-3-methyl-4H-oxazine

6-tert-butyl-3-methyl-4H-oxazine (PubChem CID 143053398) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 6-tert-butyl-3-methyl-4H-oxazine.

Molecular Properties

Compound Name6-tert-butyl-3-methyl-4H-oxazine
PubChem CID143053398
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name6-tert-butyl-3-methyl-4H-oxazine
SMILESCC1=NOC(C(C)(C)C)=CC1
InChIInChI=1S/C9H15NO/c1-7-5-6-8(11-10-7)9(2,3)4/h6H,5H2,1-4H3
InChIKeyNZNNCVOITVDIAJ-UHFFFAOYSA-N
XLogP2.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,6-trimethyl-4H-oxazine
CID 123445894
3-ethyl-4,6-dimethyl-4H-oxazine
CID 142167099
3,6-dimethyl-4H-oxazine
CID 142993482
3,5,6-trimethyl-4H-oxazine
CID 143394248
3,6-dimethyl-4H-oxazine;ethane
CID 143399688
(E)-N-[(E)-hex-2-en-2-yl]oxy-3-methylbutan-2-imine
CID 178166520

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-methyl-4H-oxazine?
The IUPAC name of 6-tert-butyl-3-methyl-4H-oxazine (CID 143053398) is 6-tert-butyl-3-methyl-4H-oxazine.
What is the SMILES notation for 6-tert-butyl-3-methyl-4H-oxazine?
The canonical SMILES for 6-tert-butyl-3-methyl-4H-oxazine is CC1=NOC(C(C)(C)C)=CC1.
What is the InChIKey of 6-tert-butyl-3-methyl-4H-oxazine?
The InChIKey is NZNNCVOITVDIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-5-6-8(11-10-7)9(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 6-tert-butyl-3-methyl-4H-oxazine?
6-tert-butyl-3-methyl-4H-oxazine has a molecular weight of 153.22 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-methyl-4H-oxazine is sourced from PubChem (CID 143053398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).