6-(2,2-dimethylpropyl)-4H-oxazine

C9H15NO — CID 129276517

IUPAC6-(2,2-dimethylpropyl)-4H-oxazine
SMILESCC(C)(C)CC1=CCC=NO1
InChIInChI=1S/C9H15NO/c1-9(2,3)7-8-5-4-6-10-11-8/h5-6H,4,7H2,1-3H3
InChIKeyNSXBPPWCDQDRDC-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.71
Rot. Bonds1

About 6-(2,2-dimethylpropyl)-4H-oxazine

6-(2,2-dimethylpropyl)-4H-oxazine (PubChem CID 129276517) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-4H-oxazine.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-4H-oxazine
PubChem CID129276517
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name6-(2,2-dimethylpropyl)-4H-oxazine
SMILESCC(C)(C)CC1=CCC=NO1
InChIInChI=1S/C9H15NO/c1-9(2,3)7-8-5-4-6-10-11-8/h5-6H,4,7H2,1-3H3
InChIKeyNSXBPPWCDQDRDC-UHFFFAOYSA-N
XLogP2.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropyl)-4H-oxazine?
The IUPAC name of 6-(2,2-dimethylpropyl)-4H-oxazine (CID 129276517) is 6-(2,2-dimethylpropyl)-4H-oxazine.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-4H-oxazine?
The canonical SMILES for 6-(2,2-dimethylpropyl)-4H-oxazine is CC(C)(C)CC1=CCC=NO1.
What is the InChIKey of 6-(2,2-dimethylpropyl)-4H-oxazine?
The InChIKey is NSXBPPWCDQDRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2,3)7-8-5-4-6-10-11-8/h5-6H,4,7H2,1-3H3.
What are the key properties of 6-(2,2-dimethylpropyl)-4H-oxazine?
6-(2,2-dimethylpropyl)-4H-oxazine has a molecular weight of 153.22 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropyl)-4H-oxazine is sourced from PubChem (CID 129276517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).