2-[4-[2-[6-(diethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl-trimethylazanium

C26H35N3+2 — CID 2733606

IUPAC2-[4-[2-[6-(diethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl-trimethylazanium
SMILESCCN(CC)c1ccc2cc(C=Cc3cc[n+](CC[N+](C)(C)C)cc3)ccc2c1
InChIInChI=1S/C26H35N3/c1-6-28(7-2)26-13-12-24-20-23(10-11-25(24)21-26)9-8-22-14-16-27(17-15-22)18-19-29(3,4)5/h8-17,20-21H,6-7,18-19H2,1-5H3/q+2
InChIKeyMQPIBFMKDALBKZ-UHFFFAOYSA-N
MW389.59 g/mol
LogP4.85
Rot. Bonds8

About 2-[4-[2-[6-(diethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl-trimethylazanium

2-[4-[2-[6-(diethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl-trimethylazanium (PubChem CID 2733606) has the molecular formula C26H35N3+2 and a molecular weight of 389.59 g/mol. Its IUPAC name is 2-[4-[2-[6-(diethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[4-[2-[6-(diethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl-trimethylazanium
PubChem CID2733606
Molecular FormulaC26H35N3+2
Molecular Weight389.59 g/mol
Exact Mass389.28
IUPAC Name2-[4-[2-[6-(diethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl-trimethylazanium
SMILESCCN(CC)c1ccc2cc(C=Cc3cc[n+](CC[N+](C)(C)C)cc3)ccc2c1
InChIInChI=1S/C26H35N3/c1-6-28(7-2)26-13-12-24-20-23(10-11-25(24)21-26)9-8-22-14-16-27(17-15-22)18-19-29(3,4)5/h8-17,20-21H,6-7,18-19H2,1-5H3/q+2
InChIKeyMQPIBFMKDALBKZ-UHFFFAOYSA-N
XLogP4.85
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.59
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(E)-2-[6-(didodecylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-trimethylazanium dibromide
CID 6508716
trimethyl-[3-[4-[(E)-2-[6-(3-methyl-N-(3-methylphenyl)anilino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl]azanium
CID 170313171
trimethyl-[3-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium-1-yl]propyl]azanium dibromide
CID 6446702
carbanide;4-[(E)-2-[1-[6-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]ethenyl]-N,N-diethylaniline
CID 158421229
5-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]pentyl-[2-[2-[3-[4-[(E)-2-[6-(dimethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propyl-dimethylazaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium
CID 89457598
4-[(E)-2-(1-butylpyridin-1-ium-4-yl)ethenyl]-N,N-diethylaniline
CID 122579493
3-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propyl-triethylazanium bromide
CID 11525775
4-[2-[1-[2-[2-[4-[2-[4-(diethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethoxy]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-diethylaniline
CID 75984107
4-[(E)-2-(1-docosylpyridin-1-ium-4-yl)ethenyl]-N,N-diethylaniline
CID 177391959
N,N-diethyl-4-[2-(1-octadecylpyridin-1-ium-4-yl)ethenyl]aniline iodide
CID 67809416
N,N-diethyl-4-[(E)-2-(1-octadecylpyridin-1-ium-4-yl)ethenyl]aniline iodide
CID 67809410
bis(N,N-diethyl-4-[2-(1-hexylpyridin-1-ium-4-yl)ethenyl]aniline);dibromide;hydrate
CID 70455978

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[6-(diethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl-trimethylazanium?
The IUPAC name of 2-[4-[2-[6-(diethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl-trimethylazanium (CID 2733606) is 2-[4-[2-[6-(diethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl-trimethylazanium.
What is the SMILES notation for 2-[4-[2-[6-(diethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl-trimethylazanium?
The canonical SMILES for 2-[4-[2-[6-(diethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl-trimethylazanium is CCN(CC)c1ccc2cc(C=Cc3cc[n+](CC[N+](C)(C)C)cc3)ccc2c1.
What is the InChIKey of 2-[4-[2-[6-(diethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl-trimethylazanium?
The InChIKey is MQPIBFMKDALBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3/c1-6-28(7-2)26-13-12-24-20-23(10-11-25(24)21-26)9-8-22-14-16-27(17-15-22)18-19-29(3,4)5/h8-17,20-21H,6-7,18-19H2,1-5H3/q+2.
What are the key properties of 2-[4-[2-[6-(diethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl-trimethylazanium?
2-[4-[2-[6-(diethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl-trimethylazanium has a molecular weight of 389.59 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[6-(diethylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]ethyl-trimethylazanium is sourced from PubChem (CID 2733606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).