6,6-diethyl-7,9-dimethylidene-8-prop-2-enylidene-1,2-dihydroquinolizin-5-ium

C18H24N+ — CID 90882917

IUPAC6,6-diethyl-7,9-dimethylidene-8-prop-2-enylidene-1,2-dihydroquinolizin-5-ium
SMILESC=CC=C1C(=C)C2=[N+](C=CCC2)C(CC)(CC)C1=C
InChIInChI=1S/C18H24N/c1-6-11-16-14(4)17-12-9-10-13-19(17)18(7-2,8-3)15(16)5/h6,10-11,13H,1,4-5,7-9,12H2,2-3H3/q+1
InChIKeyDSDHGUHOFCDFRC-UHFFFAOYSA-N
MW254.40 g/mol
LogP4.54
Rot. Bonds3

About 6,6-diethyl-7,9-dimethylidene-8-prop-2-enylidene-1,2-dihydroquinolizin-5-ium

6,6-diethyl-7,9-dimethylidene-8-prop-2-enylidene-1,2-dihydroquinolizin-5-ium (PubChem CID 90882917) has the molecular formula C18H24N+ and a molecular weight of 254.40 g/mol. Its IUPAC name is 6,6-diethyl-7,9-dimethylidene-8-prop-2-enylidene-1,2-dihydroquinolizin-5-ium.

Molecular Properties

Compound Name6,6-diethyl-7,9-dimethylidene-8-prop-2-enylidene-1,2-dihydroquinolizin-5-ium
PubChem CID90882917
Molecular FormulaC18H24N+
Molecular Weight254.40 g/mol
Exact Mass254.19
IUPAC Name6,6-diethyl-7,9-dimethylidene-8-prop-2-enylidene-1,2-dihydroquinolizin-5-ium
SMILESC=CC=C1C(=C)C2=[N+](C=CCC2)C(CC)(CC)C1=C
InChIInChI=1S/C18H24N/c1-6-11-16-14(4)17-12-9-10-13-19(17)18(7-2,8-3)15(16)5/h6,10-11,13H,1,4-5,7-9,12H2,2-3H3/q+1
InChIKeyDSDHGUHOFCDFRC-UHFFFAOYSA-N
XLogP4.54
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 54.54
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

2,2,3-Triethyl-4-ethylidene-1-(2-fluoroprop-1-enyl)-3,6-dimethyl-5-methylidenepyridin-1-ium
CID 123645334
(2Z,8E)-4-ethenyl-3,4-diethyl-2-ethylidene-8-(fluoromethylidene)-3-methyl-1,9-dimethylidenequinolizin-5-ium
CID 145678604
2-[4-(4-fluoro-3,5-dimethylcyclohexa-1,3-dien-1-yl)but-1-en-2-yl]-3-prop-2-enyl-4,8-dihydro-3H-pyrido[1,2-a]pyrimidine
CID 143345320
N-ethyl-1,11,11a,11b-tetrahydrobenzo[a]quinolizin-2-imine
CID 57095023
3-methyl-3,8,8a,9-tetrahydro-2H-isoindolo[1,2-a]isoquinolin-7-ium
CID 90887786
N-ethyl-N-methyl-3-[4-(1,7,12-trimethyl-3,4,6,7,10,11-hexahydrocyclodeca[c]pyridin-3-yl)cyclohexa-1,5-dien-1-yl]propan-1-amine
CID 123440338
9-Methylidene-8-prop-2-enylidene-1,2,6,7-tetrahydroquinolizin-5-ium
CID 123579560
2,2-Diethyl-1-(5-ethylocta-2,6-dien-2-yl)-6-methyl-3,5-dimethylidene-4-prop-2-enylidenepyridin-1-ium
CID 123737759
N-(cyclohexylmethyl)-2-(6,7-dihydro-5H-indol-5-yl)-N-methylethanamine
CID 141165638
6-(2-cyclohexylethyl)-2-methylcyclohexa-1,3-diene;methane;3-methylidene-5-N-propan-2-ylidene-2-N-[(Z)-prop-1-enyl]pentane-2,5-diimine
CID 142189215
Ethane;2-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)-4a,8a-dihydroisoquinolin-2-ium
CID 145473354
N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2,2,4-trimethyl-3,4-dihydroquinolin-6-imine
CID 172324141

Frequently Asked Questions

What is the IUPAC name of 6,6-diethyl-7,9-dimethylidene-8-prop-2-enylidene-1,2-dihydroquinolizin-5-ium?
The IUPAC name of 6,6-diethyl-7,9-dimethylidene-8-prop-2-enylidene-1,2-dihydroquinolizin-5-ium (CID 90882917) is 6,6-diethyl-7,9-dimethylidene-8-prop-2-enylidene-1,2-dihydroquinolizin-5-ium.
What is the SMILES notation for 6,6-diethyl-7,9-dimethylidene-8-prop-2-enylidene-1,2-dihydroquinolizin-5-ium?
The canonical SMILES for 6,6-diethyl-7,9-dimethylidene-8-prop-2-enylidene-1,2-dihydroquinolizin-5-ium is C=CC=C1C(=C)C2=[N+](C=CCC2)C(CC)(CC)C1=C.
What is the InChIKey of 6,6-diethyl-7,9-dimethylidene-8-prop-2-enylidene-1,2-dihydroquinolizin-5-ium?
The InChIKey is DSDHGUHOFCDFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N/c1-6-11-16-14(4)17-12-9-10-13-19(17)18(7-2,8-3)15(16)5/h6,10-11,13H,1,4-5,7-9,12H2,2-3H3/q+1.
What are the key properties of 6,6-diethyl-7,9-dimethylidene-8-prop-2-enylidene-1,2-dihydroquinolizin-5-ium?
6,6-diethyl-7,9-dimethylidene-8-prop-2-enylidene-1,2-dihydroquinolizin-5-ium has a molecular weight of 254.40 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethyl-7,9-dimethylidene-8-prop-2-enylidene-1,2-dihydroquinolizin-5-ium is sourced from PubChem (CID 90882917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).