6-(2,2-dimethylpropyl)-6H-1,3-oxazine

C9H15NO — CID 129276519

IUPAC6-(2,2-dimethylpropyl)-6H-1,3-oxazine
SMILESCC(C)(C)CC1C=CN=CO1
InChIInChI=1S/C9H15NO/c1-9(2,3)6-8-4-5-10-7-11-8/h4-5,7-8H,6H2,1-3H3
InChIKeyULIRAGQVOZLTEJ-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.36
Rot. Bonds1

About 6-(2,2-dimethylpropyl)-6H-1,3-oxazine

6-(2,2-dimethylpropyl)-6H-1,3-oxazine (PubChem CID 129276519) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-6H-1,3-oxazine.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-6H-1,3-oxazine
PubChem CID129276519
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name6-(2,2-dimethylpropyl)-6H-1,3-oxazine
SMILESCC(C)(C)CC1C=CN=CO1
InChIInChI=1S/C9H15NO/c1-9(2,3)6-8-4-5-10-7-11-8/h4-5,7-8H,6H2,1-3H3
InChIKeyULIRAGQVOZLTEJ-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2-dimethylpropyl)-4,5-dihydro-1,3-oxazole
CID 139886570
5-(2,2-dimethylpropyl)cyclopenta-1,3-diene
CID 15913732
2-(2,2-dimethylpropyl)-6-methyloxane
CID 163432444
(2R)-2-(2,2-dimethylpropyl)oxirane
CID 15053925
4-(2,2-dimethylpropyl)-3-methylcyclohexene
CID 59984603
(1R,3R)-1-(aminomethyl)-3-(2,2-dimethylpropyl)-3,4-dihydro-1H-isochromene-5,6-diol
CID 22868686
(2S,3S,4R)-2-(2,2-dimethylpropyl)oxolane-3,4-diol
CID 157122722
2-(2,2-dimethylpropyl)oxolane-3,4-diol
CID 20732647
5-(2,2-dimethylpropyl)-1-methylcyclopenta-1,3-diene
CID 23678565
9-(2,2-dimethylpropyl)-9H-fluorene;ethane
CID 145284479
7-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinoline
CID 138515872
6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinoline
CID 126639373

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropyl)-6H-1,3-oxazine?
The IUPAC name of 6-(2,2-dimethylpropyl)-6H-1,3-oxazine (CID 129276519) is 6-(2,2-dimethylpropyl)-6H-1,3-oxazine.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-6H-1,3-oxazine?
The canonical SMILES for 6-(2,2-dimethylpropyl)-6H-1,3-oxazine is CC(C)(C)CC1C=CN=CO1.
What is the InChIKey of 6-(2,2-dimethylpropyl)-6H-1,3-oxazine?
The InChIKey is ULIRAGQVOZLTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2,3)6-8-4-5-10-7-11-8/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 6-(2,2-dimethylpropyl)-6H-1,3-oxazine?
6-(2,2-dimethylpropyl)-6H-1,3-oxazine has a molecular weight of 153.22 g/mol, XLogP of 2.36, 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)-6H-1,3-oxazine is sourced from PubChem (CID 129276519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).