N-ethyl-7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine

C15H21NO2 — CID 79725403

IUPACN-ethyl-7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine
SMILESCCNC1c2cc3c(cc2C(C)C1C)OCCO3
InChIInChI=1S/C15H21NO2/c1-4-16-15-10(3)9(2)11-7-13-14(8-12(11)15)18-6-5-17-13/h7-10,15-16H,4-6H2,1-3H3
InChIKeyASSDBVGJNCWKTK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.86
Rot. Bonds2

About N-ethyl-7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine

N-ethyl-7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine (PubChem CID 79725403) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-ethyl-7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine.

Molecular Properties

Compound NameN-ethyl-7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine
PubChem CID79725403
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-ethyl-7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine
SMILESCCNC1c2cc3c(cc2C(C)C1C)OCCO3
InChIInChI=1S/C15H21NO2/c1-4-16-15-10(3)9(2)11-7-13-14(8-12(11)15)18-6-5-17-13/h7-10,15-16H,4-6H2,1-3H3
InChIKeyASSDBVGJNCWKTK-UHFFFAOYSA-N
XLogP2.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine?
The IUPAC name of N-ethyl-7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine (CID 79725403) is N-ethyl-7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine.
What is the SMILES notation for N-ethyl-7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine?
The canonical SMILES for N-ethyl-7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine is CCNC1c2cc3c(cc2C(C)C1C)OCCO3.
What is the InChIKey of N-ethyl-7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine?
The InChIKey is ASSDBVGJNCWKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-16-15-10(3)9(2)11-7-13-14(8-12(11)15)18-6-5-17-13/h7-10,15-16H,4-6H2,1-3H3.
What are the key properties of N-ethyl-7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine?
N-ethyl-7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine has a molecular weight of 247.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine is sourced from PubChem (CID 79725403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).