4-ethenyl-6-ethyl-1-ethylidene-5,5-dimethyl-6-prop-1-en-2-yl-2H-pyridin-1-ium

C16H26N+ — CID 123655964

IUPAC4-ethenyl-6-ethyl-1-ethylidene-5,5-dimethyl-6-prop-1-en-2-yl-2H-pyridin-1-ium
SMILESC=CC1=CC/[N+](=C\C)C(CC)(C(=C)C)C1(C)C
InChIInChI=1S/C16H26N/c1-8-14-11-12-17(10-3)16(9-2,13(4)5)15(14,6)7/h8,10-11H,1,4,9,12H2,2-3,5-7H3/q+1/b17-10+
InChIKeyBGEMVWYDLJHQEW-LICLKQGHSA-N
MW232.39 g/mol
LogP3.97
Rot. Bonds3

About 4-ethenyl-6-ethyl-1-ethylidene-5,5-dimethyl-6-prop-1-en-2-yl-2H-pyridin-1-ium

4-ethenyl-6-ethyl-1-ethylidene-5,5-dimethyl-6-prop-1-en-2-yl-2H-pyridin-1-ium (PubChem CID 123655964) has the molecular formula C16H26N+ and a molecular weight of 232.39 g/mol. Its IUPAC name is 4-ethenyl-6-ethyl-1-ethylidene-5,5-dimethyl-6-prop-1-en-2-yl-2H-pyridin-1-ium.

Molecular Properties

Compound Name4-ethenyl-6-ethyl-1-ethylidene-5,5-dimethyl-6-prop-1-en-2-yl-2H-pyridin-1-ium
PubChem CID123655964
Molecular FormulaC16H26N+
Molecular Weight232.39 g/mol
Exact Mass232.21
IUPAC Name4-ethenyl-6-ethyl-1-ethylidene-5,5-dimethyl-6-prop-1-en-2-yl-2H-pyridin-1-ium
SMILESC=CC1=CC/[N+](=C\C)C(CC)(C(=C)C)C1(C)C
InChIInChI=1S/C16H26N/c1-8-14-11-12-17(10-3)16(9-2,13(4)5)15(14,6)7/h8,10-11H,1,4,9,12H2,2-3,5-7H3/q+1/b17-10+
InChIKeyBGEMVWYDLJHQEW-LICLKQGHSA-N
XLogP3.97
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 53.97
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'}

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Related Compounds

(4-Ethyl-3,4-dimethyl-5-methylidenehept-6-en-3-yl)-methylidene-pent-3-en-2-ylazanium
CID 91150296
2,3-Diethyl-2,3,5-trimethyl-6-methylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium
CID 123157647
(4-Buta-1,3-dien-2-yl-1,4-diethylcyclobut-2-en-1-yl)-ethylidene-methylazanium
CID 123270803
6-But-1-en-2-yl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium
CID 123681175
4-Ethenyl-3,3-diethyl-1-ethylidene-2,6-dimethylidenepyridin-1-ium
CID 123723166
6-Ethenyl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium
CID 123781108
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
4-ethyl-2,3,5,5,6,6-hexamethyl-1-[(2Z)-penta-2,4-dienyl]-2H-pyridine
CID 130445215
ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2,2,4-tetramethyl-3H-pyrrol-1-ium
CID 162436202
2-methylpropane;1,2,2,4-tetramethyl-4-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]-3H-pyrrol-1-ium
CID 162436232
[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 4-ethenyl-6-ethyl-1-ethylidene-5,5-dimethyl-6-prop-1-en-2-yl-2H-pyridin-1-ium?
The IUPAC name of 4-ethenyl-6-ethyl-1-ethylidene-5,5-dimethyl-6-prop-1-en-2-yl-2H-pyridin-1-ium (CID 123655964) is 4-ethenyl-6-ethyl-1-ethylidene-5,5-dimethyl-6-prop-1-en-2-yl-2H-pyridin-1-ium.
What is the SMILES notation for 4-ethenyl-6-ethyl-1-ethylidene-5,5-dimethyl-6-prop-1-en-2-yl-2H-pyridin-1-ium?
The canonical SMILES for 4-ethenyl-6-ethyl-1-ethylidene-5,5-dimethyl-6-prop-1-en-2-yl-2H-pyridin-1-ium is C=CC1=CC/[N+](=C\C)C(CC)(C(=C)C)C1(C)C.
What is the InChIKey of 4-ethenyl-6-ethyl-1-ethylidene-5,5-dimethyl-6-prop-1-en-2-yl-2H-pyridin-1-ium?
The InChIKey is BGEMVWYDLJHQEW-LICLKQGHSA-N. The full InChI is InChI=1S/C16H26N/c1-8-14-11-12-17(10-3)16(9-2,13(4)5)15(14,6)7/h8,10-11H,1,4,9,12H2,2-3,5-7H3/q+1/b17-10+.
What are the key properties of 4-ethenyl-6-ethyl-1-ethylidene-5,5-dimethyl-6-prop-1-en-2-yl-2H-pyridin-1-ium?
4-ethenyl-6-ethyl-1-ethylidene-5,5-dimethyl-6-prop-1-en-2-yl-2H-pyridin-1-ium has a molecular weight of 232.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-6-ethyl-1-ethylidene-5,5-dimethyl-6-prop-1-en-2-yl-2H-pyridin-1-ium is sourced from PubChem (CID 123655964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).