4,5-dimethyloxazinane

C6H13NO — CID 177019669

IUPAC4,5-dimethyloxazinane
SMILESCC1CNOCC1C
InChIInChI=1S/C6H13NO/c1-5-3-7-8-4-6(5)2/h5-7H,3-4H2,1-2H3
InChIKeyFGSVCNASGUOYNB-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.79
Rot. Bonds

About 4,5-dimethyloxazinane

4,5-dimethyloxazinane (PubChem CID 177019669) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 4,5-dimethyloxazinane.

Molecular Properties

Compound Name4,5-dimethyloxazinane
PubChem CID177019669
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name4,5-dimethyloxazinane
SMILESCC1CNOCC1C
InChIInChI=1S/C6H13NO/c1-5-3-7-8-4-6(5)2/h5-7H,3-4H2,1-2H3
InChIKeyFGSVCNASGUOYNB-UHFFFAOYSA-N
XLogP0.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyloxazepane-4,5-diol
CID 123486151
N-methyl-1,2-oxazolidin-4-amine
CID 20736567
3,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d]oxazine
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4-fluoro-1,2-oxazolidine
CID 166600468
(3R)-3,4-dimethyloxolane;ethene
CID 145261700
(3S,4R)-3,4-dimethyloxolane;ethane;methanol
CID 166485181
9,10-dimethyl-1,4,7-trioxacycloundecane
CID 20818181
4-(4-methoxyphenyl)-1,2-oxazolidine
CID 105438001
2,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117226965
(3R)-2,3-dimethylazetidine
CID 154523082
(2S,3S)-2,3-dimethyloxetane
CID 76764483
(3R,4S,5R,6R)-6-methylazepane-3,4,5-triol;hydrochloride
CID 56950388

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyloxazinane?
The IUPAC name of 4,5-dimethyloxazinane (CID 177019669) is 4,5-dimethyloxazinane.
What is the SMILES notation for 4,5-dimethyloxazinane?
The canonical SMILES for 4,5-dimethyloxazinane is CC1CNOCC1C.
What is the InChIKey of 4,5-dimethyloxazinane?
The InChIKey is FGSVCNASGUOYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-3-7-8-4-6(5)2/h5-7H,3-4H2,1-2H3.
What are the key properties of 4,5-dimethyloxazinane?
4,5-dimethyloxazinane has a molecular weight of 115.18 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyloxazinane is sourced from PubChem (CID 177019669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).