2,2-diethyl-5-methyl-3,6-dimethylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium

C18H26N+ — CID 123792117

IUPAC2,2-diethyl-5-methyl-3,6-dimethylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium
SMILESC=C/C=[N+]1\C(=C)C(C)=C(C=CC)C(=C)C1(CC)CC
InChIInChI=1S/C18H26N/c1-8-12-17-14(5)16(7)19(13-9-2)18(10-3,11-4)15(17)6/h8-9,12-13H,2,6-7,10-11H2,1,3-5H3/q+1/b12-8?,19-13+
InChIKeyIVAYUHWTWPEQKM-UDTFIQCMSA-N
MW256.41 g/mol
LogP4.79
Rot. Bonds4

About 2,2-diethyl-5-methyl-3,6-dimethylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium

2,2-diethyl-5-methyl-3,6-dimethylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium (PubChem CID 123792117) has the molecular formula C18H26N+ and a molecular weight of 256.41 g/mol. Its IUPAC name is 2,2-diethyl-5-methyl-3,6-dimethylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium.

Molecular Properties

Compound Name2,2-diethyl-5-methyl-3,6-dimethylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium
PubChem CID123792117
Molecular FormulaC18H26N+
Molecular Weight256.41 g/mol
Exact Mass256.21
IUPAC Name2,2-diethyl-5-methyl-3,6-dimethylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium
SMILESC=C/C=[N+]1\C(=C)C(C)=C(C=CC)C(=C)C1(CC)CC
InChIInChI=1S/C18H26N/c1-8-12-17-14(5)16(7)19(13-9-2)18(10-3,11-4)15(17)6/h8-9,12-13H,2,6-7,10-11H2,1,3-5H3/q+1/b12-8?,19-13+
InChIKeyIVAYUHWTWPEQKM-UDTFIQCMSA-N
XLogP4.79
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 54.79
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-[(2Z,4E,6E)-7-methyl-4-(2-methylbutyl)nona-2,4,6,8-tetraen-3-yl]prop-2-en-1-imine
CID 88267020
2,3-Diethyl-2,3,5-trimethyl-6-methylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium
CID 123157647
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
N-[(2E)-7-(3,4-dihydropyridin-6-yl)-3,4-dimethyl-6-prop-1-enyldeca-2,6,9-trien-2-yl]ethanimine
CID 123899882
3-ethenyl-2,2-diethyl-1-ethylidene-5-methyl-6-methylidene-4-prop-1-enyl-3H-pyridin-1-ium
CID 123978373
4-[(1Z,3Z)-1-[[(Z)-but-2-enylidene]amino]penta-1,3-dien-2-yl]-N-[(E)-hex-3-en-3-yl]-N-[(E)-pent-1-enyl]cyclohexa-1,5-dien-1-amine
CID 124112768
N-[4-(8a-methyl-8H-quinolin-6-yl)-3-methylbutan-2-yl]-N-methylhexa-1,5-dien-2-amine
CID 134287846
(1E,3E)-8-[(2E)-1-ethyl-3-methylidene-2-prop-2-enylidenepyridin-1-ium-4-yl]-N,N-dimethylocta-1,3,5,7-tetraen-1-amine
CID 136621642
(2E,3Z)-3-(3-ethylhexylidene)-2-prop-2-enylidenepyridine
CID 137505173
2-ethyl-1-[(1E,3E)-hexa-1,3,5-trienyl]-3-methyl-4-[(E)-3-methylbut-1-enyl]-2,3-dihydropyridin-1-ium
CID 155699276
ethane;(2E)-5-ethenyl-1-[(2Z,4Z)-hexa-2,4-dienylidene]-3-methyl-4-[(Z)-prop-1-enyl]-2-propylidene-3H-pyrrol-1-ium
CID 162362884

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-5-methyl-3,6-dimethylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium?
The IUPAC name of 2,2-diethyl-5-methyl-3,6-dimethylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium (CID 123792117) is 2,2-diethyl-5-methyl-3,6-dimethylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium.
What is the SMILES notation for 2,2-diethyl-5-methyl-3,6-dimethylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium?
The canonical SMILES for 2,2-diethyl-5-methyl-3,6-dimethylidene-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)C1(CC)CC.
What is the InChIKey of 2,2-diethyl-5-methyl-3,6-dimethylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium?
The InChIKey is IVAYUHWTWPEQKM-UDTFIQCMSA-N. The full InChI is InChI=1S/C18H26N/c1-8-12-17-14(5)16(7)19(13-9-2)18(10-3,11-4)15(17)6/h8-9,12-13H,2,6-7,10-11H2,1,3-5H3/q+1/b12-8?,19-13+.
What are the key properties of 2,2-diethyl-5-methyl-3,6-dimethylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium?
2,2-diethyl-5-methyl-3,6-dimethylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium has a molecular weight of 256.41 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-5-methyl-3,6-dimethylidene-4-prop-1-enyl-1-prop-2-enylidenepyridin-1-ium is sourced from PubChem (CID 123792117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).