2,4-diethyl-2-methyl-1H-quinolin-1-ium

C14H20N+ — CID 22012816

IUPAC2,4-diethyl-2-methyl-1H-quinolin-1-ium
SMILESCCC1=CC(C)(CC)[NH2+]c2ccccc21
InChIInChI=1S/C14H19N/c1-4-11-10-14(3,5-2)15-13-9-7-6-8-12(11)13/h6-10,15H,4-5H2,1-3H3/p+1
InChIKeyWRGWVXRANTWQOG-UHFFFAOYSA-O
MW202.32 g/mol
LogP2.86
Rot. Bonds2

About 2,4-diethyl-2-methyl-1H-quinolin-1-ium

2,4-diethyl-2-methyl-1H-quinolin-1-ium (PubChem CID 22012816) has the molecular formula C14H20N+ and a molecular weight of 202.32 g/mol. Its IUPAC name is 2,4-diethyl-2-methyl-1H-quinolin-1-ium.

Molecular Properties

Compound Name2,4-diethyl-2-methyl-1H-quinolin-1-ium
PubChem CID22012816
Molecular FormulaC14H20N+
Molecular Weight202.32 g/mol
Exact Mass202.16
IUPAC Name2,4-diethyl-2-methyl-1H-quinolin-1-ium
SMILESCCC1=CC(C)(CC)[NH2+]c2ccccc21
InChIInChI=1S/C14H19N/c1-4-11-10-14(3,5-2)15-13-9-7-6-8-12(11)13/h6-10,15H,4-5H2,1-3H3/p+1
InChIKeyWRGWVXRANTWQOG-UHFFFAOYSA-O
XLogP2.86
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-2-methyl-1H-quinolin-1-ium?
The IUPAC name of 2,4-diethyl-2-methyl-1H-quinolin-1-ium (CID 22012816) is 2,4-diethyl-2-methyl-1H-quinolin-1-ium.
What is the SMILES notation for 2,4-diethyl-2-methyl-1H-quinolin-1-ium?
The canonical SMILES for 2,4-diethyl-2-methyl-1H-quinolin-1-ium is CCC1=CC(C)(CC)[NH2+]c2ccccc21.
What is the InChIKey of 2,4-diethyl-2-methyl-1H-quinolin-1-ium?
The InChIKey is WRGWVXRANTWQOG-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19N/c1-4-11-10-14(3,5-2)15-13-9-7-6-8-12(11)13/h6-10,15H,4-5H2,1-3H3/p+1.
What are the key properties of 2,4-diethyl-2-methyl-1H-quinolin-1-ium?
2,4-diethyl-2-methyl-1H-quinolin-1-ium has a molecular weight of 202.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-2-methyl-1H-quinolin-1-ium is sourced from PubChem (CID 22012816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).