1-ethyl-2-methylquinolin-1-ium-4-amine

C12H15N2+ — CID 75478982

IUPAC1-ethyl-2-methylquinolin-1-ium-4-amine
SMILESCC[n+]1c(C)cc(N)c2ccccc21
InChIInChI=1S/C12H14N2/c1-3-14-9(2)8-11(13)10-6-4-5-7-12(10)14/h4-8,13H,3H2,1-2H3/p+1
InChIKeyYLAUWMPZZLLVDV-UHFFFAOYSA-O
MW187.27 g/mol
LogP2.04
Rot. Bonds1

About 1-ethyl-2-methylquinolin-1-ium-4-amine

1-ethyl-2-methylquinolin-1-ium-4-amine (PubChem CID 75478982) has the molecular formula C12H15N2+ and a molecular weight of 187.27 g/mol. Its IUPAC name is 1-ethyl-2-methylquinolin-1-ium-4-amine.

Molecular Properties

Compound Name1-ethyl-2-methylquinolin-1-ium-4-amine
PubChem CID75478982
Molecular FormulaC12H15N2+
Molecular Weight187.27 g/mol
Exact Mass187.12
IUPAC Name1-ethyl-2-methylquinolin-1-ium-4-amine
SMILESCC[n+]1c(C)cc(N)c2ccccc21
InChIInChI=1S/C12H14N2/c1-3-14-9(2)8-11(13)10-6-4-5-7-12(10)14/h4-8,13H,3H2,1-2H3/p+1
InChIKeyYLAUWMPZZLLVDV-UHFFFAOYSA-O
XLogP2.04
TPSA29.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine
CID 2993
1-[(E)-10-(4-amino-2-methylquinolin-1-ium-1-yl)dec-5-enyl]-2-methylquinolin-1-ium-4-amine
CID 10532808
methyl 2-(4-amino-2-methylquinolin-1-ium-1-yl)acetate bromide
CID 11278349
10-ethyl-9-methylacridin-10-ium iodide
CID 172827370
1-[1-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine
CID 89414912
1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine;1-hexadecylpyridin-1-ium;triacetate
CID 123131905
azane;1-ethyl-2,4,6-trimethylpyridin-1-ium
CID 68931316
1-ethyl-3-methyl-2,1-benzoxazol-1-ium
CID 744462
1-[10-(4-imino-2-methylquinolin-1-yl)decyl]-2-methylquinolin-1-ium-4-amine;undecanoic acid
CID 170846802
1-ethyl-4-(1-ethyl-2-methylpyridin-1-ium-4-yl)quinolin-1-ium
CID 137387681
3-ethyl-1-prop-2-enylquinazoline-1,3-diium-2,4-diol
CID 78578218
benzo[c]quinolizin-11-ium-6-amine;hydrochloride
CID 22987948

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylquinolin-1-ium-4-amine?
The IUPAC name of 1-ethyl-2-methylquinolin-1-ium-4-amine (CID 75478982) is 1-ethyl-2-methylquinolin-1-ium-4-amine.
What is the SMILES notation for 1-ethyl-2-methylquinolin-1-ium-4-amine?
The canonical SMILES for 1-ethyl-2-methylquinolin-1-ium-4-amine is CC[n+]1c(C)cc(N)c2ccccc21.
What is the InChIKey of 1-ethyl-2-methylquinolin-1-ium-4-amine?
The InChIKey is YLAUWMPZZLLVDV-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H14N2/c1-3-14-9(2)8-11(13)10-6-4-5-7-12(10)14/h4-8,13H,3H2,1-2H3/p+1.
What are the key properties of 1-ethyl-2-methylquinolin-1-ium-4-amine?
1-ethyl-2-methylquinolin-1-ium-4-amine has a molecular weight of 187.27 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylquinolin-1-ium-4-amine is sourced from PubChem (CID 75478982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).