azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine

C13H25NO2 — CID 159540292

IUPACazane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
SMILESC.C.CC(C)c1ccc2c(c1)OCCO2.N
InChIInChI=1S/C11H14O2.2CH4.H3N/c1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;;;/h3-4,7-8H,5-6H2,1-2H3;2*1H4;1H3
InChIKeyWONFVQAAOYAHRJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.02
Rot. Bonds1

About azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine

azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine (PubChem CID 159540292) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Nameazane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
PubChem CID159540292
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameazane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
SMILESC.C.CC(C)c1ccc2c(c1)OCCO2.N
InChIInChI=1S/C11H14O2.2CH4.H3N/c1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;;;/h3-4,7-8H,5-6H2,1-2H3;2*1H4;1H3
InChIKeyWONFVQAAOYAHRJ-UHFFFAOYSA-N
XLogP4.02
TPSA53.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
6-(3-chlorobutan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 66470243
2,2,3,3-tetradeuterio-6-propan-2-yl-1,4-benzodioxine
CID 88993276
[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
CID 7047685
6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentan-3-amine
CID 79298713
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea
CID 55473711
7-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine
CID 58689144
5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
CID 158005969
3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol
CID 82077632
6-(4-bromopentan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 64720151

Frequently Asked Questions

What is the IUPAC name of azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine (CID 159540292) is azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine is C.C.CC(C)c1ccc2c(c1)OCCO2.N.
What is the InChIKey of azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
The InChIKey is WONFVQAAOYAHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.2CH4.H3N/c1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;;;/h3-4,7-8H,5-6H2,1-2H3;2*1H4;1H3.
What are the key properties of azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine has a molecular weight of 227.35 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 159540292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).