8-(2,4,6-trimethylpyridin-1-ium-1-yl)naphthalen-1-amine perchlorate

C18H19ClN2O4 — CID 12694656

IUPAC8-(2,4,6-trimethylpyridin-1-ium-1-yl)naphthalen-1-amine perchlorate
SMILESCc1cc(C)[n+](-c2cccc3cccc(N)c23)c(C)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C18H19N2.ClHO4/c1-12-10-13(2)20(14(3)11-12)17-9-5-7-15-6-4-8-16(19)18(15)17;2-1(3,4)5/h4-11H,19H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyABQOCZZLRMLODM-UHFFFAOYSA-M
MW362.81 g/mol
LogP-1.13
Rot. Bonds1

About 8-(2,4,6-trimethylpyridin-1-ium-1-yl)naphthalen-1-amine perchlorate

8-(2,4,6-trimethylpyridin-1-ium-1-yl)naphthalen-1-amine perchlorate (PubChem CID 12694656) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 8-(2,4,6-trimethylpyridin-1-ium-1-yl)naphthalen-1-amine perchlorate.

Molecular Properties

Compound Name8-(2,4,6-trimethylpyridin-1-ium-1-yl)naphthalen-1-amine perchlorate
PubChem CID12694656
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name8-(2,4,6-trimethylpyridin-1-ium-1-yl)naphthalen-1-amine perchlorate
SMILESCc1cc(C)[n+](-c2cccc3cccc(N)c23)c(C)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C18H19N2.ClHO4/c1-12-10-13(2)20(14(3)11-12)17-9-5-7-15-6-4-8-16(19)18(15)17;2-1(3,4)5/h4-11H,19H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyABQOCZZLRMLODM-UHFFFAOYSA-M
XLogP-1.13
TPSA122.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4,6-trimethylpyridin-1-ium-1-yl)naphthalen-1-amine perchlorate?
The IUPAC name of 8-(2,4,6-trimethylpyridin-1-ium-1-yl)naphthalen-1-amine perchlorate (CID 12694656) is 8-(2,4,6-trimethylpyridin-1-ium-1-yl)naphthalen-1-amine perchlorate.
What is the SMILES notation for 8-(2,4,6-trimethylpyridin-1-ium-1-yl)naphthalen-1-amine perchlorate?
The canonical SMILES for 8-(2,4,6-trimethylpyridin-1-ium-1-yl)naphthalen-1-amine perchlorate is Cc1cc(C)[n+](-c2cccc3cccc(N)c23)c(C)c1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 8-(2,4,6-trimethylpyridin-1-ium-1-yl)naphthalen-1-amine perchlorate?
The InChIKey is ABQOCZZLRMLODM-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H19N2.ClHO4/c1-12-10-13(2)20(14(3)11-12)17-9-5-7-15-6-4-8-16(19)18(15)17;2-1(3,4)5/h4-11H,19H2,1-3H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 8-(2,4,6-trimethylpyridin-1-ium-1-yl)naphthalen-1-amine perchlorate?
8-(2,4,6-trimethylpyridin-1-ium-1-yl)naphthalen-1-amine perchlorate has a molecular weight of 362.81 g/mol, XLogP of -1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4,6-trimethylpyridin-1-ium-1-yl)naphthalen-1-amine perchlorate is sourced from PubChem (CID 12694656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).