3,4-dimethylpent-3-enylidene-methyl-[3-(2,3,4-trimethyl-2,5-dihydropyridin-1-ium-1-yl)propyl]azanium

C19H34N2+2 — CID 59357084

IUPAC3,4-dimethylpent-3-enylidene-methyl-[3-(2,3,4-trimethyl-2,5-dihydropyridin-1-ium-1-yl)propyl]azanium
SMILESCC(C)=C(C)C/C=[N+](\C)CCC[N+]1=CCC(C)=C(C)C1C
InChIInChI=1S/C19H34N2/c1-15(2)16(3)9-13-20(7)11-8-12-21-14-10-17(4)18(5)19(21)6/h13-14,19H,8-12H2,1-7H3/q+2/b20-13+
InChIKeyZVVJIMZIAKLBMP-DEDYPNTBSA-N
MW290.50 g/mol
LogP4.05
Rot. Bonds6

About 3,4-dimethylpent-3-enylidene-methyl-[3-(2,3,4-trimethyl-2,5-dihydropyridin-1-ium-1-yl)propyl]azanium

3,4-dimethylpent-3-enylidene-methyl-[3-(2,3,4-trimethyl-2,5-dihydropyridin-1-ium-1-yl)propyl]azanium (PubChem CID 59357084) has the molecular formula C19H34N2+2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 3,4-dimethylpent-3-enylidene-methyl-[3-(2,3,4-trimethyl-2,5-dihydropyridin-1-ium-1-yl)propyl]azanium.

Molecular Properties

Compound Name3,4-dimethylpent-3-enylidene-methyl-[3-(2,3,4-trimethyl-2,5-dihydropyridin-1-ium-1-yl)propyl]azanium
PubChem CID59357084
Molecular FormulaC19H34N2+2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name3,4-dimethylpent-3-enylidene-methyl-[3-(2,3,4-trimethyl-2,5-dihydropyridin-1-ium-1-yl)propyl]azanium
SMILESCC(C)=C(C)C/C=[N+](\C)CCC[N+]1=CCC(C)=C(C)C1C
InChIInChI=1S/C19H34N2/c1-15(2)16(3)9-13-20(7)11-8-12-21-14-10-17(4)18(5)19(21)6/h13-14,19H,8-12H2,1-7H3/q+2/b20-13+
InChIKeyZVVJIMZIAKLBMP-DEDYPNTBSA-N
XLogP4.05
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-Propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 58315252
3,4-Dimethylpent-3-enylidene-methyl-[3-(2,3,4-trimethyl-2,5-dihydropyridin-1-ium-1-yl)propa-1,2-dienyl]azanium
CID 91103051
ethane;N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine
CID 142338627
5-Propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 157079316
N-methyl-1-(5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methanimine
CID 170633891
butane;N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine;ethane
CID 170634492
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine
CID 170634493
2-methyl-N-(5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-imine
CID 174306415
N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine
CID 142338628
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-2-methylbutan-1-imine
CID 145116847

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpent-3-enylidene-methyl-[3-(2,3,4-trimethyl-2,5-dihydropyridin-1-ium-1-yl)propyl]azanium?
The IUPAC name of 3,4-dimethylpent-3-enylidene-methyl-[3-(2,3,4-trimethyl-2,5-dihydropyridin-1-ium-1-yl)propyl]azanium (CID 59357084) is 3,4-dimethylpent-3-enylidene-methyl-[3-(2,3,4-trimethyl-2,5-dihydropyridin-1-ium-1-yl)propyl]azanium.
What is the SMILES notation for 3,4-dimethylpent-3-enylidene-methyl-[3-(2,3,4-trimethyl-2,5-dihydropyridin-1-ium-1-yl)propyl]azanium?
The canonical SMILES for 3,4-dimethylpent-3-enylidene-methyl-[3-(2,3,4-trimethyl-2,5-dihydropyridin-1-ium-1-yl)propyl]azanium is CC(C)=C(C)C/C=[N+](\C)CCC[N+]1=CCC(C)=C(C)C1C.
What is the InChIKey of 3,4-dimethylpent-3-enylidene-methyl-[3-(2,3,4-trimethyl-2,5-dihydropyridin-1-ium-1-yl)propyl]azanium?
The InChIKey is ZVVJIMZIAKLBMP-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H34N2/c1-15(2)16(3)9-13-20(7)11-8-12-21-14-10-17(4)18(5)19(21)6/h13-14,19H,8-12H2,1-7H3/q+2/b20-13+.
What are the key properties of 3,4-dimethylpent-3-enylidene-methyl-[3-(2,3,4-trimethyl-2,5-dihydropyridin-1-ium-1-yl)propyl]azanium?
3,4-dimethylpent-3-enylidene-methyl-[3-(2,3,4-trimethyl-2,5-dihydropyridin-1-ium-1-yl)propyl]azanium has a molecular weight of 290.50 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpent-3-enylidene-methyl-[3-(2,3,4-trimethyl-2,5-dihydropyridin-1-ium-1-yl)propyl]azanium is sourced from PubChem (CID 59357084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).