10-butyl-6-ethenyl-6,7-diethyl-4,7-dimethylbenzo[a]quinolizin-5-ium

C25H34N+ — CID 123733438

IUPAC10-butyl-6-ethenyl-6,7-diethyl-4,7-dimethylbenzo[a]quinolizin-5-ium
SMILESC=CC1(CC)[n+]2c(C)cccc2-c2cc(CCCC)ccc2C1(C)CC
InChIInChI=1S/C25H34N/c1-7-11-14-20-16-17-22-21(18-20)23-15-12-13-19(5)26(23)25(9-3,10-4)24(22,6)8-2/h9,12-13,15-18H,3,7-8,10-11,14H2,1-2,4-6H3/q+1
InChIKeyBDHTWJZVBNSCTB-UHFFFAOYSA-N
MW348.55 g/mol
LogP6.26
Rot. Bonds6

About 10-butyl-6-ethenyl-6,7-diethyl-4,7-dimethylbenzo[a]quinolizin-5-ium

10-butyl-6-ethenyl-6,7-diethyl-4,7-dimethylbenzo[a]quinolizin-5-ium (PubChem CID 123733438) has the molecular formula C25H34N+ and a molecular weight of 348.55 g/mol. Its IUPAC name is 10-butyl-6-ethenyl-6,7-diethyl-4,7-dimethylbenzo[a]quinolizin-5-ium.

Molecular Properties

Compound Name10-butyl-6-ethenyl-6,7-diethyl-4,7-dimethylbenzo[a]quinolizin-5-ium
PubChem CID123733438
Molecular FormulaC25H34N+
Molecular Weight348.55 g/mol
Exact Mass348.27
IUPAC Name10-butyl-6-ethenyl-6,7-diethyl-4,7-dimethylbenzo[a]quinolizin-5-ium
SMILESC=CC1(CC)[n+]2c(C)cccc2-c2cc(CCCC)ccc2C1(C)CC
InChIInChI=1S/C25H34N/c1-7-11-14-20-16-17-22-21(18-20)23-15-12-13-19(5)26(23)25(9-3,10-4)24(22,6)8-2/h9,12-13,15-18H,3,7-8,10-11,14H2,1-2,4-6H3/q+1
InChIKeyBDHTWJZVBNSCTB-UHFFFAOYSA-N
XLogP6.26
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.55
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 10-butyl-6-ethenyl-6,7-diethyl-4,7-dimethylbenzo[a]quinolizin-5-ium with MolForge

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Related Compounds

10-butyl-6,7,7-triethyl-4-methyl-6H-benzo[a]quinolizin-5-ium
CID 91804385
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CID 91539590
11-butyl-7-ethenyl-7,8-diethyl-8-methyl-5-phosphoroso-2H-azepino[2,1-a]isoquinolin-6-ium
CID 123753332
10-butyl-6,6,7-triethyl-3-fluoro-7-methylbenzo[a]quinolizin-5-ium
CID 123226875
11-butyl-6-ethenyl-6,7-diethyl-7-methylanthra[1,2-a]quinolizin-5-ium
CID 91327153
6,6,7-triethyl-7-methyl-10-(2-methyl-5-pentylphenyl)benzo[a]quinolizin-5-ium
CID 123365931
10-[3-[3-(3-butylphenyl)-5-(3-methylphenyl)phenyl]phenyl]-6-but-1-ynyl-6,7-diethyl-4,7-dimethyl-3-prop-1-enylbenzo[a]quinolizin-5-ium
CID 123136397
6,7-diethyl-7-methyl-10-(2-methyl-5-pentylphenyl)-6-propylbenzo[a]quinolizin-5-ium
CID 123682053
5-butyl-16,17-diethyl-16,17-dimethyl-8-aza-1-azoniapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1(18),2(7),3,5,9,11(19),12,14-octaene
CID 123229248
10-(2-butylcarbazol-9-yl)-6,6,7-triethyl-7-methylbenzo[a]quinolizin-5-ium
CID 123842391
1-butyl-3-prop-2-enylbenzene
CID 140596641
6-ethenyl-5,6-diethyl-5-methyl-12-phenylbenzimidazolo[2,1-a]isoquinolin-7-ium
CID 123781734

Frequently Asked Questions

What is the IUPAC name of 10-butyl-6-ethenyl-6,7-diethyl-4,7-dimethylbenzo[a]quinolizin-5-ium?
The IUPAC name of 10-butyl-6-ethenyl-6,7-diethyl-4,7-dimethylbenzo[a]quinolizin-5-ium (CID 123733438) is 10-butyl-6-ethenyl-6,7-diethyl-4,7-dimethylbenzo[a]quinolizin-5-ium.
What is the SMILES notation for 10-butyl-6-ethenyl-6,7-diethyl-4,7-dimethylbenzo[a]quinolizin-5-ium?
The canonical SMILES for 10-butyl-6-ethenyl-6,7-diethyl-4,7-dimethylbenzo[a]quinolizin-5-ium is C=CC1(CC)[n+]2c(C)cccc2-c2cc(CCCC)ccc2C1(C)CC.
What is the InChIKey of 10-butyl-6-ethenyl-6,7-diethyl-4,7-dimethylbenzo[a]quinolizin-5-ium?
The InChIKey is BDHTWJZVBNSCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N/c1-7-11-14-20-16-17-22-21(18-20)23-15-12-13-19(5)26(23)25(9-3,10-4)24(22,6)8-2/h9,12-13,15-18H,3,7-8,10-11,14H2,1-2,4-6H3/q+1.
What are the key properties of 10-butyl-6-ethenyl-6,7-diethyl-4,7-dimethylbenzo[a]quinolizin-5-ium?
10-butyl-6-ethenyl-6,7-diethyl-4,7-dimethylbenzo[a]quinolizin-5-ium has a molecular weight of 348.55 g/mol, XLogP of 6.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butyl-6-ethenyl-6,7-diethyl-4,7-dimethylbenzo[a]quinolizin-5-ium is sourced from PubChem (CID 123733438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).