3,4-dimethyl-1,3-oxazinane

C6H13NO — CID 567623

IUPAC3,4-dimethyl-1,3-oxazinane
SMILESCC1CCOCN1C
InChIInChI=1S/C6H13NO/c1-6-3-4-8-5-7(6)2/h6H,3-5H2,1-2H3
InChIKeyGWHGTVYIPAJDSZ-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.68
Rot. Bonds

About 3,4-dimethyl-1,3-oxazinane

3,4-dimethyl-1,3-oxazinane (PubChem CID 567623) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3,4-dimethyl-1,3-oxazinane.

Molecular Properties

Compound Name3,4-dimethyl-1,3-oxazinane
PubChem CID567623
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3,4-dimethyl-1,3-oxazinane
SMILESCC1CCOCN1C
InChIInChI=1S/C6H13NO/c1-6-3-4-8-5-7(6)2/h6H,3-5H2,1-2H3
InChIKeyGWHGTVYIPAJDSZ-UHFFFAOYSA-N
XLogP0.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-dimethyl-1,3-oxazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Dimethylperhydro-1,3-oxazine
CID 567613
3-Methyl-1,3-oxazinane
CID 641502
3,5-Dimethyltetrahydro-1,3-oxazine
CID 13277333
N,N-Dimethyltetrahydro-2H-pyran-4-amine
CID 10176150
3-Methyl-4-(trifluoromethyl)-1,3-oxazinane
CID 145167709
(4R)-6-fluoro-3,4-dimethyl-1,3-oxazinane
CID 175612622
(5R)-3,5-dimethyl-1,3-oxazinane
CID 641514
3,5,5-Trimethyl-1,3-oxazinane
CID 641524
(2R)-2,3-dimethyl-1,3-oxazinane
CID 641526
3-Ethyl-1,3-oxazinane
CID 12636112
3-Propan-2-yl-1,3-oxazinane
CID 12636113
3-Ethyl-2-methyl-1,3-oxazinane
CID 12636122

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1,3-oxazinane?
The IUPAC name of 3,4-dimethyl-1,3-oxazinane (CID 567623) is 3,4-dimethyl-1,3-oxazinane.
What is the SMILES notation for 3,4-dimethyl-1,3-oxazinane?
The canonical SMILES for 3,4-dimethyl-1,3-oxazinane is CC1CCOCN1C.
What is the InChIKey of 3,4-dimethyl-1,3-oxazinane?
The InChIKey is GWHGTVYIPAJDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6-3-4-8-5-7(6)2/h6H,3-5H2,1-2H3.
What are the key properties of 3,4-dimethyl-1,3-oxazinane?
3,4-dimethyl-1,3-oxazinane has a molecular weight of 115.18 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1,3-oxazinane is sourced from PubChem (CID 567623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).