2-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium-1-yl]ethanamine

C19H19N2+ — CID 23757809

IUPAC2-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium-1-yl]ethanamine
SMILESNCC[n+]1ccc(/C=C/c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H19N2/c20-11-14-21-12-9-16(10-13-21)5-6-17-7-8-18-3-1-2-4-19(18)15-17/h1-10,12-13,15H,11,14,20H2/q+1/b6-5+
InChIKeyROKBKKCOERRHKK-AATRIKPKSA-N
MW275.38 g/mol
LogP3.26
Rot. Bonds4

About 2-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium-1-yl]ethanamine

2-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium-1-yl]ethanamine (PubChem CID 23757809) has the molecular formula C19H19N2+ and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium-1-yl]ethanamine
PubChem CID23757809
Molecular FormulaC19H19N2+
Molecular Weight275.38 g/mol
Exact Mass275.15
IUPAC Name2-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium-1-yl]ethanamine
SMILESNCC[n+]1ccc(/C=C/c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H19N2/c20-11-14-21-12-9-16(10-13-21)5-6-17-7-8-18-3-1-2-4-19(18)15-17/h1-10,12-13,15H,11,14,20H2/q+1/b6-5+
InChIKeyROKBKKCOERRHKK-AATRIKPKSA-N
XLogP3.26
TPSA29.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 20801533
trimethyl-[3-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium-1-yl]propyl]azanium dibromide
CID 6446702
2-[4-[(E)-2-(4-phenylphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine
CID 11645116
2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene
CID 76589902
3-naphthalen-2-ylprop-2-en-1-amine
CID 76997157
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533
6-[(E)-2-(1-propylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-ol
CID 71477992
2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene
CID 59156066
tris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane
CID 58942119
2-[2-(3-fluorophenyl)ethenyl]naphthalene
CID 68615723
2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene
CID 14597022
2-[4-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine
CID 23757866

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium-1-yl]ethanamine?
The IUPAC name of 2-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium-1-yl]ethanamine (CID 23757809) is 2-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium-1-yl]ethanamine?
The canonical SMILES for 2-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium-1-yl]ethanamine is NCC[n+]1ccc(/C=C/c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium-1-yl]ethanamine?
The InChIKey is ROKBKKCOERRHKK-AATRIKPKSA-N. The full InChI is InChI=1S/C19H19N2/c20-11-14-21-12-9-16(10-13-21)5-6-17-7-8-18-3-1-2-4-19(18)15-17/h1-10,12-13,15H,11,14,20H2/q+1/b6-5+.
What are the key properties of 2-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium-1-yl]ethanamine?
2-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium-1-yl]ethanamine has a molecular weight of 275.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-naphthalen-2-ylethenyl]pyridin-1-ium-1-yl]ethanamine is sourced from PubChem (CID 23757809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).