4-ethenyl-3,3-diethyl-1-ethylidene-2,6-dimethylidenepyridin-1-ium

C15H22N+ — CID 123723166

IUPAC4-ethenyl-3,3-diethyl-1-ethylidene-2,6-dimethylidenepyridin-1-ium
SMILESC=CC1=CC(=C)/[N+](=C\C)C(=C)C1(CC)CC
InChIInChI=1S/C15H22N/c1-7-14-11-12(5)16(10-4)13(6)15(14,8-2)9-3/h7,10-11H,1,5-6,8-9H2,2-4H3/q+1/b16-10+
InChIKeySMZKGSIBLRRKMW-MHWRWJLKSA-N
MW216.35 g/mol
LogP4.05
Rot. Bonds3

About 4-ethenyl-3,3-diethyl-1-ethylidene-2,6-dimethylidenepyridin-1-ium

4-ethenyl-3,3-diethyl-1-ethylidene-2,6-dimethylidenepyridin-1-ium (PubChem CID 123723166) has the molecular formula C15H22N+ and a molecular weight of 216.35 g/mol. Its IUPAC name is 4-ethenyl-3,3-diethyl-1-ethylidene-2,6-dimethylidenepyridin-1-ium.

Molecular Properties

Compound Name4-ethenyl-3,3-diethyl-1-ethylidene-2,6-dimethylidenepyridin-1-ium
PubChem CID123723166
Molecular FormulaC15H22N+
Molecular Weight216.35 g/mol
Exact Mass216.17
IUPAC Name4-ethenyl-3,3-diethyl-1-ethylidene-2,6-dimethylidenepyridin-1-ium
SMILESC=CC1=CC(=C)/[N+](=C\C)C(=C)C1(CC)CC
InChIInChI=1S/C15H22N/c1-7-14-11-12(5)16(10-4)13(6)15(14,8-2)9-3/h7,10-11H,1,5-6,8-9H2,2-4H3/q+1/b16-10+
InChIKeySMZKGSIBLRRKMW-MHWRWJLKSA-N
XLogP4.05
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 54.05
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

N-(2-ethyl-3,3,6-trimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
CID 67968391
2,3-Diethyl-2,3,5-trimethyl-6-methylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium
CID 123157647
5-Ethenyl-4,4-diethyl-1-ethylidene-3-methylidene-2,7-dihydroazepin-1-ium
CID 123172520
(4,4-Diethyl-5-methylhepta-1,5-dien-2-yl)-ethylidene-methylazanium
CID 123464092
N-[1-(4-ethylcyclohexa-1,5-dien-1-yl)buta-1,3-dienyl]prop-2-en-1-imine
CID 123523602
4-ethenyl-6-ethyl-1-ethylidene-5,5-dimethyl-6-prop-1-en-2-yl-2H-pyridin-1-ium
CID 123655964
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
N-(2,3,4-trimethyl-4-prop-1-enylcyclohexa-1,5-dien-1-yl)ethanimine
CID 124026017
(2Z)-2-[(Z)-2,2-dimethylhex-4-en-3-ylidene]-3-methylidenepyridine
CID 135257442
(3Z)-3-(3,3-dimethyl-2-methylidenebutylidene)-2-methylidenepyridine
CID 142422995
6-Buta-1,3-dien-2-yl-4-tert-butyl-3,4-dihydropyridine
CID 143194824

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3,3-diethyl-1-ethylidene-2,6-dimethylidenepyridin-1-ium?
The IUPAC name of 4-ethenyl-3,3-diethyl-1-ethylidene-2,6-dimethylidenepyridin-1-ium (CID 123723166) is 4-ethenyl-3,3-diethyl-1-ethylidene-2,6-dimethylidenepyridin-1-ium.
What is the SMILES notation for 4-ethenyl-3,3-diethyl-1-ethylidene-2,6-dimethylidenepyridin-1-ium?
The canonical SMILES for 4-ethenyl-3,3-diethyl-1-ethylidene-2,6-dimethylidenepyridin-1-ium is C=CC1=CC(=C)/[N+](=C\C)C(=C)C1(CC)CC.
What is the InChIKey of 4-ethenyl-3,3-diethyl-1-ethylidene-2,6-dimethylidenepyridin-1-ium?
The InChIKey is SMZKGSIBLRRKMW-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H22N/c1-7-14-11-12(5)16(10-4)13(6)15(14,8-2)9-3/h7,10-11H,1,5-6,8-9H2,2-4H3/q+1/b16-10+.
What are the key properties of 4-ethenyl-3,3-diethyl-1-ethylidene-2,6-dimethylidenepyridin-1-ium?
4-ethenyl-3,3-diethyl-1-ethylidene-2,6-dimethylidenepyridin-1-ium has a molecular weight of 216.35 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3,3-diethyl-1-ethylidene-2,6-dimethylidenepyridin-1-ium is sourced from PubChem (CID 123723166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).