6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)hexan-1-amine

C13H21NO3S — CID 86096746

IUPAC6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)hexan-1-amine
SMILESNCCCCCCOCC1COc2cscc2O1
InChIInChI=1S/C13H21NO3S/c14-5-3-1-2-4-6-15-7-11-8-16-12-9-18-10-13(12)17-11/h9-11H,1-8,14H2
InChIKeyVGWXHNLUMIIQLZ-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.42
Rot. Bonds8

About 6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)hexan-1-amine

6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)hexan-1-amine (PubChem CID 86096746) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)hexan-1-amine.

Molecular Properties

Compound Name6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)hexan-1-amine
PubChem CID86096746
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)hexan-1-amine
SMILESNCCCCCCOCC1COc2cscc2O1
InChIInChI=1S/C13H21NO3S/c14-5-3-1-2-4-6-15-7-11-8-16-12-9-18-10-13(12)17-11/h9-11H,1-8,14H2
InChIKeyVGWXHNLUMIIQLZ-UHFFFAOYSA-N
XLogP2.42
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexyl]methoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 142745537
3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 158165895
3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)propanoic acid
CID 45122038
3-(cyclohexylmethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 142745535
3-[6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)hexyl-dimethylazaniumyl]propane-1-sulfonate
CID 135345680
5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)pentane-2-sulfonic acid
CID 139489979
2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl hydrogen carbonate
CID 142879820
2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetohydrazide
CID 20758010
4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)butane-2-sulfonic acid
CID 118522915
3-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexen-1-yl]methoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 172828466
3-(5-bromopentoxymethyl)-2,3-dihydro-1,4-benzodioxine
CID 54245127
methane;3-methoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine;3-(methoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 157072268

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)hexan-1-amine?
The IUPAC name of 6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)hexan-1-amine (CID 86096746) is 6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)hexan-1-amine.
What is the SMILES notation for 6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)hexan-1-amine?
The canonical SMILES for 6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)hexan-1-amine is NCCCCCCOCC1COc2cscc2O1.
What is the InChIKey of 6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)hexan-1-amine?
The InChIKey is VGWXHNLUMIIQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c14-5-3-1-2-4-6-15-7-11-8-16-12-9-18-10-13(12)17-11/h9-11H,1-8,14H2.
What are the key properties of 6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)hexan-1-amine?
6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)hexan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)hexan-1-amine is sourced from PubChem (CID 86096746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).