2,6-dimethyl-3,6-dihydrooxazine

C6H11NO — CID 12580560

IUPAC2,6-dimethyl-3,6-dihydrooxazine
SMILESCC1C=CCN(C)O1
InChIInChI=1S/C6H11NO/c1-6-4-3-5-7(2)8-6/h3-4,6H,5H2,1-2H3
InChIKeyDJJGTCHCNQPCAH-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.81
Rot. Bonds

About 2,6-dimethyl-3,6-dihydrooxazine

2,6-dimethyl-3,6-dihydrooxazine (PubChem CID 12580560) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2,6-dimethyl-3,6-dihydrooxazine.

Molecular Properties

Compound Name2,6-dimethyl-3,6-dihydrooxazine
PubChem CID12580560
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2,6-dimethyl-3,6-dihydrooxazine
SMILESCC1C=CCN(C)O1
InChIInChI=1S/C6H11NO/c1-6-4-3-5-7(2)8-6/h3-4,6H,5H2,1-2H3
InChIKeyDJJGTCHCNQPCAH-UHFFFAOYSA-N
XLogP0.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(2S)-1-methyl-2,5-dihydropyrrole-2-carbaldehyde
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4-iodo-1-methyl-2,3,4,7-tetrahydroazepine
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4-fluoro-1-methyl-2,3,4,7-tetrahydroazepine
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3-(4-iodophenyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 155085416
(2R)-2,5-dimethyl-2,5-dihydrofuran
CID 154537787
2-N,2-N,3-N,3-N,1-pentamethyl-3,6-dihydro-2H-pyridine-2,3-diamine
CID 18730083
(5Z)-2,3,4-trimethyl-2,3,7,8-tetrahydro-1,4-oxazocine
CID 58293713
1-methyl-2-(trifluoromethoxy)-2,5-dihydropyrrole
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2-butyl-1-methyl-2,5-dihydropyrrole
CID 142492351

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3,6-dihydrooxazine?
The IUPAC name of 2,6-dimethyl-3,6-dihydrooxazine (CID 12580560) is 2,6-dimethyl-3,6-dihydrooxazine.
What is the SMILES notation for 2,6-dimethyl-3,6-dihydrooxazine?
The canonical SMILES for 2,6-dimethyl-3,6-dihydrooxazine is CC1C=CCN(C)O1.
What is the InChIKey of 2,6-dimethyl-3,6-dihydrooxazine?
The InChIKey is DJJGTCHCNQPCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-6-4-3-5-7(2)8-6/h3-4,6H,5H2,1-2H3.
What are the key properties of 2,6-dimethyl-3,6-dihydrooxazine?
2,6-dimethyl-3,6-dihydrooxazine has a molecular weight of 113.16 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3,6-dihydrooxazine is sourced from PubChem (CID 12580560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).