methyl-(naphthalen-1-ylmethyl)-(2-pyridin-1-ium-2-ylethyl)azanium

C19H22N2+2 — CID 2168230

IUPACmethyl-(naphthalen-1-ylmethyl)-(2-pyridin-1-ium-2-ylethyl)azanium
SMILESC[NH+](CCc1cccc[nH+]1)Cc1cccc2ccccc12
InChIInChI=1S/C19H20N2/c1-21(14-12-18-10-4-5-13-20-18)15-17-9-6-8-16-7-2-3-11-19(16)17/h2-11,13H,12,14-15H2,1H3/p+2
InChIKeySLECRCVKIGDLEU-UHFFFAOYSA-P
MW278.40 g/mol
LogP1.91
Rot. Bonds5

About methyl-(naphthalen-1-ylmethyl)-(2-pyridin-1-ium-2-ylethyl)azanium

methyl-(naphthalen-1-ylmethyl)-(2-pyridin-1-ium-2-ylethyl)azanium (PubChem CID 2168230) has the molecular formula C19H22N2+2 and a molecular weight of 278.40 g/mol. Its IUPAC name is methyl-(naphthalen-1-ylmethyl)-(2-pyridin-1-ium-2-ylethyl)azanium.

Molecular Properties

Compound Namemethyl-(naphthalen-1-ylmethyl)-(2-pyridin-1-ium-2-ylethyl)azanium
PubChem CID2168230
Molecular FormulaC19H22N2+2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Namemethyl-(naphthalen-1-ylmethyl)-(2-pyridin-1-ium-2-ylethyl)azanium
SMILESC[NH+](CCc1cccc[nH+]1)Cc1cccc2ccccc12
InChIInChI=1S/C19H20N2/c1-21(14-12-18-10-4-5-13-20-18)15-17-9-6-8-16-7-2-3-11-19(16)17/h2-11,13H,12,14-15H2,1H3/p+2
InChIKeySLECRCVKIGDLEU-UHFFFAOYSA-P
XLogP1.91
TPSA18.58 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methyl-(naphthalen-1-ylmethyl)-(2-pyridin-1-ium-2-ylethyl)azanium?
The IUPAC name of methyl-(naphthalen-1-ylmethyl)-(2-pyridin-1-ium-2-ylethyl)azanium (CID 2168230) is methyl-(naphthalen-1-ylmethyl)-(2-pyridin-1-ium-2-ylethyl)azanium.
What is the SMILES notation for methyl-(naphthalen-1-ylmethyl)-(2-pyridin-1-ium-2-ylethyl)azanium?
The canonical SMILES for methyl-(naphthalen-1-ylmethyl)-(2-pyridin-1-ium-2-ylethyl)azanium is C[NH+](CCc1cccc[nH+]1)Cc1cccc2ccccc12.
What is the InChIKey of methyl-(naphthalen-1-ylmethyl)-(2-pyridin-1-ium-2-ylethyl)azanium?
The InChIKey is SLECRCVKIGDLEU-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H20N2/c1-21(14-12-18-10-4-5-13-20-18)15-17-9-6-8-16-7-2-3-11-19(16)17/h2-11,13H,12,14-15H2,1H3/p+2.
What are the key properties of methyl-(naphthalen-1-ylmethyl)-(2-pyridin-1-ium-2-ylethyl)azanium?
methyl-(naphthalen-1-ylmethyl)-(2-pyridin-1-ium-2-ylethyl)azanium has a molecular weight of 278.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(naphthalen-1-ylmethyl)-(2-pyridin-1-ium-2-ylethyl)azanium is sourced from PubChem (CID 2168230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).