2,3-diethyl-2,3,5-trimethyl-6-methylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium

C19H30N+ — CID 123157647

IUPAC2,3-diethyl-2,3,5-trimethyl-6-methylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium
SMILESC=C/C=[N+]1\C(=C)C(C)=C(C=CC)C(C)(CC)C1(C)CC
InChIInChI=1S/C19H30N/c1-9-13-17-15(5)16(6)20(14-10-2)19(8,12-4)18(17,7)11-3/h9-10,13-14H,2,6,11-12H2,1,3-5,7-8H3/q+1/b13-9?,20-14+
InChIKeyAKPDHQGVHIBQFH-DXTRBBJQSA-N
MW272.46 g/mol
LogP5.26
Rot. Bonds4

About 2,3-diethyl-2,3,5-trimethyl-6-methylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium

2,3-diethyl-2,3,5-trimethyl-6-methylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium (PubChem CID 123157647) has the molecular formula C19H30N+ and a molecular weight of 272.46 g/mol. Its IUPAC name is 2,3-diethyl-2,3,5-trimethyl-6-methylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium.

Molecular Properties

Compound Name2,3-diethyl-2,3,5-trimethyl-6-methylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium
PubChem CID123157647
Molecular FormulaC19H30N+
Molecular Weight272.46 g/mol
Exact Mass272.24
IUPAC Name2,3-diethyl-2,3,5-trimethyl-6-methylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium
SMILESC=C/C=[N+]1\C(=C)C(C)=C(C=CC)C(C)(CC)C1(C)CC
InChIInChI=1S/C19H30N/c1-9-13-17-15(5)16(6)20(14-10-2)19(8,12-4)18(17,7)11-3/h9-10,13-14H,2,6,11-12H2,1,3-5,7-8H3/q+1/b13-9?,20-14+
InChIKeyAKPDHQGVHIBQFH-DXTRBBJQSA-N
XLogP5.26
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.46
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3-diethyl-2,3,5-trimethyl-6-methylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium with MolForge

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Related Compounds

N-(2-ethyl-3,3,6-trimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
CID 67968391
4-ethenyl-6-ethyl-1-ethylidene-5,5-dimethyl-6-prop-1-en-2-yl-2H-pyridin-1-ium
CID 123655964
4-Ethenyl-3,3-diethyl-1-ethylidene-2,6-dimethylidenepyridin-1-ium
CID 123723166
2,2-Diethyl-5-methyl-3,6-dimethylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium
CID 123792117
3-ethenyl-2,2-diethyl-1-ethylidene-5-methyl-6-methylidene-4-prop-1-enyl-3H-pyridin-1-ium
CID 123978373
6-but-3-enyl-6-methyl-7H-quinoline
CID 134287844
(6E,8E,10E)-5,5,11,11a-tetramethyl-4aH-cyclonona[b]pyridin-9-amine
CID 137504124
(2E,3Z)-3-(3-ethylhexylidene)-2-prop-2-enylidenepyridine
CID 137505173
(Z)-N-(2,4a-dimethyl-5,8,9,9a-tetrahydrobenzo[7]annulen-6-yl)but-2-en-1-imine
CID 142002547
(2E)-3-methylidene-2-[(E)-3,3,4-trimethyl-2-methylidenehex-4-enylidene]pyridine
CID 167041044
(3Z)-3-[(Z)-but-2-enylidene]-4-tert-butyl-2-methylidenepyridine
CID 170122965
[4-[(E)-but-2-en-2-yl]-1,4-dimethylcyclobut-2-en-1-yl]-tert-butyl-ethylideneazanium
CID 170130896

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-2,3,5-trimethyl-6-methylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium?
The IUPAC name of 2,3-diethyl-2,3,5-trimethyl-6-methylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium (CID 123157647) is 2,3-diethyl-2,3,5-trimethyl-6-methylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium.
What is the SMILES notation for 2,3-diethyl-2,3,5-trimethyl-6-methylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium?
The canonical SMILES for 2,3-diethyl-2,3,5-trimethyl-6-methylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium is C=C/C=[N+]1\C(=C)C(C)=C(C=CC)C(C)(CC)C1(C)CC.
What is the InChIKey of 2,3-diethyl-2,3,5-trimethyl-6-methylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium?
The InChIKey is AKPDHQGVHIBQFH-DXTRBBJQSA-N. The full InChI is InChI=1S/C19H30N/c1-9-13-17-15(5)16(6)20(14-10-2)19(8,12-4)18(17,7)11-3/h9-10,13-14H,2,6,11-12H2,1,3-5,7-8H3/q+1/b13-9?,20-14+.
What are the key properties of 2,3-diethyl-2,3,5-trimethyl-6-methylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium?
2,3-diethyl-2,3,5-trimethyl-6-methylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium has a molecular weight of 272.46 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-2,3,5-trimethyl-6-methylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium is sourced from PubChem (CID 123157647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).