azane;3,3-dimethyldioxane

C6H15NO2 — CID 174358085

IUPACazane;3,3-dimethyldioxane
SMILESCC1(C)CCCOO1.N
InChIInChI=1S/C6H12O2.H3N/c1-6(2)4-3-5-7-8-6;/h3-5H2,1-2H3;1H3
InChIKeyMTBTYRLFKULAHX-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.67
Rot. Bonds

About azane;3,3-dimethyldioxane

azane;3,3-dimethyldioxane (PubChem CID 174358085) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is azane;3,3-dimethyldioxane.

Molecular Properties

Compound Nameazane;3,3-dimethyldioxane
PubChem CID174358085
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Nameazane;3,3-dimethyldioxane
SMILESCC1(C)CCCOO1.N
InChIInChI=1S/C6H12O2.H3N/c1-6(2)4-3-5-7-8-6;/h3-5H2,1-2H3;1H3
InChIKeyMTBTYRLFKULAHX-UHFFFAOYSA-N
XLogP1.67
TPSA53.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(2R)-2-iodo-2-methyloxolane
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1,2-dioxa-9-azaspiro[5.5]undecane
CID 87835110
2,2-dimethyloxane;methanamine
CID 144836185
1-N'-[1-(3-methyldioxan-3-yl)propyl]ethane-1,1-diamine
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azane;dioxolane
CID 173091565
(1R,5S)-1,5-dimethyl-6,7,8-trioxabicyclo[3.2.1]octane
CID 11819178
17-(iodomethyl)-17-methyl-13,14,18,19,26,27-hexaoxaspiro[11.15]heptacosane
CID 4866661
(2R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-dioxane]-3-one
CID 135069914
11-(iodomethyl)-11,14,14-trimethyl-7,8,12,13,17-pentaoxaspiro[5.11]heptadecane
CID 101229506
3,3,7-trimethyl-7-phenyldioxepane
CID 12716602

Frequently Asked Questions

What is the IUPAC name of azane;3,3-dimethyldioxane?
The IUPAC name of azane;3,3-dimethyldioxane (CID 174358085) is azane;3,3-dimethyldioxane.
What is the SMILES notation for azane;3,3-dimethyldioxane?
The canonical SMILES for azane;3,3-dimethyldioxane is CC1(C)CCCOO1.N.
What is the InChIKey of azane;3,3-dimethyldioxane?
The InChIKey is MTBTYRLFKULAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.H3N/c1-6(2)4-3-5-7-8-6;/h3-5H2,1-2H3;1H3.
What are the key properties of azane;3,3-dimethyldioxane?
azane;3,3-dimethyldioxane has a molecular weight of 133.19 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3,3-dimethyldioxane is sourced from PubChem (CID 174358085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).