8,9-diethyl-8,14-dimethyl-14-azoniatricyclo[8.3.1.02,7]tetradeca-1(14),2,4,6,10,12-hexaene

C19H24N+ — CID 123201333

IUPAC8,9-diethyl-8,14-dimethyl-14-azoniatricyclo[8.3.1.02,7]tetradeca-1(14),2,4,6,10,12-hexaene
SMILESCCC1c2cccc([n+]2C)-c2ccccc2C1(C)CC
InChIInChI=1S/C19H24N/c1-5-15-18-13-9-12-17(20(18)4)14-10-7-8-11-16(14)19(15,3)6-2/h7-13,15H,5-6H2,1-4H3/q+1
InChIKeyDMOMEABLNXJSNM-UHFFFAOYSA-N
MW266.41 g/mol
LogP4.35
Rot. Bonds2

About 8,9-diethyl-8,14-dimethyl-14-azoniatricyclo[8.3.1.02,7]tetradeca-1(14),2,4,6,10,12-hexaene

8,9-diethyl-8,14-dimethyl-14-azoniatricyclo[8.3.1.02,7]tetradeca-1(14),2,4,6,10,12-hexaene (PubChem CID 123201333) has the molecular formula C19H24N+ and a molecular weight of 266.41 g/mol. Its IUPAC name is 8,9-diethyl-8,14-dimethyl-14-azoniatricyclo[8.3.1.02,7]tetradeca-1(14),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name8,9-diethyl-8,14-dimethyl-14-azoniatricyclo[8.3.1.02,7]tetradeca-1(14),2,4,6,10,12-hexaene
PubChem CID123201333
Molecular FormulaC19H24N+
Molecular Weight266.41 g/mol
Exact Mass266.19
IUPAC Name8,9-diethyl-8,14-dimethyl-14-azoniatricyclo[8.3.1.02,7]tetradeca-1(14),2,4,6,10,12-hexaene
SMILESCCC1c2cccc([n+]2C)-c2ccccc2C1(C)CC
InChIInChI=1S/C19H24N/c1-5-15-18-13-9-12-17(20(18)4)14-10-7-8-11-16(14)19(15,3)6-2/h7-13,15H,5-6H2,1-4H3/q+1
InChIKeyDMOMEABLNXJSNM-UHFFFAOYSA-N
XLogP4.35
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,15-dimethyl-14-methylidene-13-azoniatetracyclo[10.2.1.02,7.08,13]pentadeca-2,4,6,8(13),9,11-hexaene
CID 148702041
8,9,14-triethyl-8,9-dimethyl-14-azoniatricyclo[8.3.1.02,7]tetradeca-1(14),2,4,6,10,12-hexaene
CID 123387746
9-methyl-9-propylfluorene
CID 13283188
9-ethyl-9-propylfluorene
CID 123584741
8,8-diethyl-4-(fluoromethyl)-7-methylidene-6H-pyrido[2,1-a][2]benzazepin-5-ium
CID 123984092
6-ethyl-6,7-dimethyl-7-propylbenzo[a]quinolizin-5-ium
CID 123837266
6,12-diethyl-6,12-dimethylindeno[1,2-b]fluorene
CID 144770955
(1-ethyl-1-methyl-3-oxo-2H-inden-2-yl) acetate
CID 155801744
2,4-diethyl-3-methyl-1-azoniatetracyclo[9.4.0.02,4.05,10]pentadeca-1(15),5,7,9,11,13-hexaene
CID 123294446
6,6-diethyl-7-methyl-7H-benzo[a]quinolizin-5-ium
CID 91273331
2-ethyl-1,3,3-trimethylindol-1-ium perchlorate
CID 10613301
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636

Frequently Asked Questions

What is the IUPAC name of 8,9-diethyl-8,14-dimethyl-14-azoniatricyclo[8.3.1.02,7]tetradeca-1(14),2,4,6,10,12-hexaene?
The IUPAC name of 8,9-diethyl-8,14-dimethyl-14-azoniatricyclo[8.3.1.02,7]tetradeca-1(14),2,4,6,10,12-hexaene (CID 123201333) is 8,9-diethyl-8,14-dimethyl-14-azoniatricyclo[8.3.1.02,7]tetradeca-1(14),2,4,6,10,12-hexaene.
What is the SMILES notation for 8,9-diethyl-8,14-dimethyl-14-azoniatricyclo[8.3.1.02,7]tetradeca-1(14),2,4,6,10,12-hexaene?
The canonical SMILES for 8,9-diethyl-8,14-dimethyl-14-azoniatricyclo[8.3.1.02,7]tetradeca-1(14),2,4,6,10,12-hexaene is CCC1c2cccc([n+]2C)-c2ccccc2C1(C)CC.
What is the InChIKey of 8,9-diethyl-8,14-dimethyl-14-azoniatricyclo[8.3.1.02,7]tetradeca-1(14),2,4,6,10,12-hexaene?
The InChIKey is DMOMEABLNXJSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N/c1-5-15-18-13-9-12-17(20(18)4)14-10-7-8-11-16(14)19(15,3)6-2/h7-13,15H,5-6H2,1-4H3/q+1.
What are the key properties of 8,9-diethyl-8,14-dimethyl-14-azoniatricyclo[8.3.1.02,7]tetradeca-1(14),2,4,6,10,12-hexaene?
8,9-diethyl-8,14-dimethyl-14-azoniatricyclo[8.3.1.02,7]tetradeca-1(14),2,4,6,10,12-hexaene has a molecular weight of 266.41 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-diethyl-8,14-dimethyl-14-azoniatricyclo[8.3.1.02,7]tetradeca-1(14),2,4,6,10,12-hexaene is sourced from PubChem (CID 123201333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).