1,2-dimethyl-6,7-dihydroquinolin-1-ium;ethane

C13H20N+ — CID 144659210

IUPAC1,2-dimethyl-6,7-dihydroquinolin-1-ium;ethane
SMILESCC.Cc1ccc2c([n+]1C)=CCCC=2
InChIInChI=1S/C11H14N.C2H6/c1-9-7-8-10-5-3-4-6-11(10)12(9)2;1-2/h5-8H,3-4H2,1-2H3;1-2H3/q+1;
InChIKeyKVVDANMBCZNHOP-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.20
Rot. Bonds

About 1,2-dimethyl-6,7-dihydroquinolin-1-ium;ethane

1,2-dimethyl-6,7-dihydroquinolin-1-ium;ethane (PubChem CID 144659210) has the molecular formula C13H20N+ and a molecular weight of 190.31 g/mol. Its IUPAC name is 1,2-dimethyl-6,7-dihydroquinolin-1-ium;ethane.

Molecular Properties

Compound Name1,2-dimethyl-6,7-dihydroquinolin-1-ium;ethane
PubChem CID144659210
Molecular FormulaC13H20N+
Molecular Weight190.31 g/mol
Exact Mass190.16
IUPAC Name1,2-dimethyl-6,7-dihydroquinolin-1-ium;ethane
SMILESCC.Cc1ccc2c([n+]1C)=CCCC=2
InChIInChI=1S/C11H14N.C2H6/c1-9-7-8-10-5-3-4-6-11(10)12(9)2;1-2/h5-8H,3-4H2,1-2H3;1-2H3/q+1;
InChIKeyKVVDANMBCZNHOP-UHFFFAOYSA-N
XLogP1.20
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Ethylpyrrolo[2,3-h]quinoline
CID 129782327
1-Ethyl-3h-pyrrolo[2,3-h]quinoline
CID 129782498
1-Methylpyrroloquinoline
CID 129800346
2-Diethylamino-3h-acridine
CID 137346134
iridium;N-methyl-1-(6-methyl-3H-indolizin-3-id-5-yl)ethanimine
CID 57687933
[(4E)-4-[[4-(dimethylamino)benzene-6-id-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;yttrium
CID 58436140
2-methyl-5H-quinolin-5-ide;yttrium
CID 59098005
(2E,3Z)-2,3-di(ethylidene)quinoline
CID 59760794
2-Methyl-6,7-dihydroquinoline
CID 68373323
2,3-Di(ethylidene)quinoline
CID 72554674
(2E,4E)-N,N-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-2-amine
CID 89441651
2,7-Dimethyl-6,7-dihydroquinoline
CID 89495201

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-6,7-dihydroquinolin-1-ium;ethane?
The IUPAC name of 1,2-dimethyl-6,7-dihydroquinolin-1-ium;ethane (CID 144659210) is 1,2-dimethyl-6,7-dihydroquinolin-1-ium;ethane.
What is the SMILES notation for 1,2-dimethyl-6,7-dihydroquinolin-1-ium;ethane?
The canonical SMILES for 1,2-dimethyl-6,7-dihydroquinolin-1-ium;ethane is CC.Cc1ccc2c([n+]1C)=CCCC=2.
What is the InChIKey of 1,2-dimethyl-6,7-dihydroquinolin-1-ium;ethane?
The InChIKey is KVVDANMBCZNHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N.C2H6/c1-9-7-8-10-5-3-4-6-11(10)12(9)2;1-2/h5-8H,3-4H2,1-2H3;1-2H3/q+1;.
What are the key properties of 1,2-dimethyl-6,7-dihydroquinolin-1-ium;ethane?
1,2-dimethyl-6,7-dihydroquinolin-1-ium;ethane has a molecular weight of 190.31 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-6,7-dihydroquinolin-1-ium;ethane is sourced from PubChem (CID 144659210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).