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

C15H21NO2 — CID 63821748

IUPAC8-methyl-N-propyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine
SMILESCCCNC1CC(C)c2cc3c(cc21)OCCO3
InChIInChI=1S/C15H21NO2/c1-3-4-16-13-7-10(2)11-8-14-15(9-12(11)13)18-6-5-17-14/h8-10,13,16H,3-7H2,1-2H3
InChIKeyQVMYISWKWNZSHA-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.01
Rot. Bonds3

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

8-methyl-N-propyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine (PubChem CID 63821748) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 8-methyl-N-propyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine.

Molecular Properties

Compound Name8-methyl-N-propyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine
PubChem CID63821748
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name8-methyl-N-propyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine
SMILESCCCNC1CC(C)c2cc3c(cc21)OCCO3
InChIInChI=1S/C15H21NO2/c1-3-4-16-13-7-10(2)11-8-14-15(9-12(11)13)18-6-5-17-14/h8-10,13,16H,3-7H2,1-2H3
InChIKeyQVMYISWKWNZSHA-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-methyl-N-propyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine with MolForge

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Related Compounds

7-methyl-6-oxo-N-propyl-3,7,8,9-tetrahydro-2H-thiopyrano[2,3-g][1,4]benzodioxin-9-amine
CID 115478782
3,10-dimethyl-N-propyl-3,4,7,8,9,10-hexahydro-2H-benzo[h][1,5]benzodioxepin-7-amine
CID 115417710
6-ethyl-3-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 63823010
8,9-dimethyl-N-propyl-2,3,4,7,8,9-hexahydrocyclopenta[h][1,5]benzodioxepin-7-amine
CID 79726877
2-(8-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-yl)ethanamine
CID 82082839
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
9-methyl-2,3,4,7,8,9-hexahydrocyclopenta[h][1,5]benzodioxepin-7-amine
CID 63822811
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81416989
8-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79983235
N-ethyl-7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine
CID 79725403
7-bromo-8-methyl-N-propyl-3,4,8,9,10,11-hexahydro-2H-benzo[i][1,5]benzodioxepin-11-amine
CID 115417484
N-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 43512405

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-propyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine?
The IUPAC name of 8-methyl-N-propyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine (CID 63821748) is 8-methyl-N-propyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine.
What is the SMILES notation for 8-methyl-N-propyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine?
The canonical SMILES for 8-methyl-N-propyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine is CCCNC1CC(C)c2cc3c(cc21)OCCO3.
What is the InChIKey of 8-methyl-N-propyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine?
The InChIKey is QVMYISWKWNZSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-4-16-13-7-10(2)11-8-14-15(9-12(11)13)18-6-5-17-14/h8-10,13,16H,3-7H2,1-2H3.
What are the key properties of 8-methyl-N-propyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine?
8-methyl-N-propyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine has a molecular weight of 247.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-propyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine is sourced from PubChem (CID 63821748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).