2-naphthalen-1-yl-1-pyridin-1-ium-1-ylethanimine

C17H15N2+ — CID 91259755

IUPAC2-naphthalen-1-yl-1-pyridin-1-ium-1-ylethanimine
SMILES[H]/N=C(/Cc1cccc2ccccc12)[n+]1ccccc1
InChIInChI=1S/C17H15N2/c18-17(19-11-4-1-5-12-19)13-15-9-6-8-14-7-2-3-10-16(14)15/h1-12,18H,13H2/q+1/b18-17-
InChIKeyJSYKYAMFWIMSOI-ZCXUNETKSA-N
MW247.32 g/mol
LogP3.20
Rot. Bonds2

About 2-naphthalen-1-yl-1-pyridin-1-ium-1-ylethanimine

2-naphthalen-1-yl-1-pyridin-1-ium-1-ylethanimine (PubChem CID 91259755) has the molecular formula C17H15N2+ and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1-pyridin-1-ium-1-ylethanimine.

Molecular Properties

Compound Name2-naphthalen-1-yl-1-pyridin-1-ium-1-ylethanimine
PubChem CID91259755
Molecular FormulaC17H15N2+
Molecular Weight247.32 g/mol
Exact Mass247.12
IUPAC Name2-naphthalen-1-yl-1-pyridin-1-ium-1-ylethanimine
SMILES[H]/N=C(/Cc1cccc2ccccc12)[n+]1ccccc1
InChIInChI=1S/C17H15N2/c18-17(19-11-4-1-5-12-19)13-15-9-6-8-14-7-2-3-10-16(14)15/h1-12,18H,13H2/q+1/b18-17-
InChIKeyJSYKYAMFWIMSOI-ZCXUNETKSA-N
XLogP3.20
TPSA27.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-naphthalen-1-ylethanimidate;hydrochloride
CID 19863964
tetrakis(2-naphthalen-1-ylacetic acid);samarium
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potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
2-cyano-1-(naphthalen-1-ylmethylsulfanyl)-2-pyridin-1-ium-1-ylethenethiolate
CID 74081978
3-naphthalen-1-yl-2-oxopropanoate
CID 18448912
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
carbonic acid;formaldehyde;1-prop-2-enylnaphthalene
CID 175360952
2-naphthalen-1-yl-1-phenylethanone
CID 10900926
CID 13383371
CID 13383371
2-(naphthalen-1-ylmethyl)prop-2-enoic acid
CID 10059024
1-naphthalen-1-yl-3-phenylpropan-2-one
CID 5314621
dimethyl-(naphthalen-1-ylmethyl)-(3-phenylprop-2-enyl)azanium chloride
CID 73385961

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1-pyridin-1-ium-1-ylethanimine?
The IUPAC name of 2-naphthalen-1-yl-1-pyridin-1-ium-1-ylethanimine (CID 91259755) is 2-naphthalen-1-yl-1-pyridin-1-ium-1-ylethanimine.
What is the SMILES notation for 2-naphthalen-1-yl-1-pyridin-1-ium-1-ylethanimine?
The canonical SMILES for 2-naphthalen-1-yl-1-pyridin-1-ium-1-ylethanimine is [H]/N=C(/Cc1cccc2ccccc12)[n+]1ccccc1.
What is the InChIKey of 2-naphthalen-1-yl-1-pyridin-1-ium-1-ylethanimine?
The InChIKey is JSYKYAMFWIMSOI-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H15N2/c18-17(19-11-4-1-5-12-19)13-15-9-6-8-14-7-2-3-10-16(14)15/h1-12,18H,13H2/q+1/b18-17-.
What are the key properties of 2-naphthalen-1-yl-1-pyridin-1-ium-1-ylethanimine?
2-naphthalen-1-yl-1-pyridin-1-ium-1-ylethanimine has a molecular weight of 247.32 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1-pyridin-1-ium-1-ylethanimine is sourced from PubChem (CID 91259755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).