ethane;1-methyl-3-(2-methylpropyl)quinolin-1-ium

C16H24N+ — CID 155692555

IUPACethane;1-methyl-3-(2-methylpropyl)quinolin-1-ium
SMILESCC.CC(C)Cc1cc2ccccc2[n+](C)c1
InChIInChI=1S/C14H18N.C2H6/c1-11(2)8-12-9-13-6-4-5-7-14(13)15(3)10-12;1-2/h4-7,9-11H,8H2,1-3H3;1-2H3/q+1;
InChIKeyIMGSOXPEAMHHOG-UHFFFAOYSA-N
MW230.37 g/mol
LogP3.89
Rot. Bonds2

About ethane;1-methyl-3-(2-methylpropyl)quinolin-1-ium

ethane;1-methyl-3-(2-methylpropyl)quinolin-1-ium (PubChem CID 155692555) has the molecular formula C16H24N+ and a molecular weight of 230.37 g/mol. Its IUPAC name is ethane;1-methyl-3-(2-methylpropyl)quinolin-1-ium.

Molecular Properties

Compound Nameethane;1-methyl-3-(2-methylpropyl)quinolin-1-ium
PubChem CID155692555
Molecular FormulaC16H24N+
Molecular Weight230.37 g/mol
Exact Mass230.19
IUPAC Nameethane;1-methyl-3-(2-methylpropyl)quinolin-1-ium
SMILESCC.CC(C)Cc1cc2ccccc2[n+](C)c1
InChIInChI=1S/C14H18N.C2H6/c1-11(2)8-12-9-13-6-4-5-7-14(13)15(3)10-12;1-2/h4-7,9-11H,8H2,1-3H3;1-2H3/q+1;
InChIKeyIMGSOXPEAMHHOG-UHFFFAOYSA-N
XLogP3.89
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

ethane;2-methylpropylbenzene
CID 162200929
3-(2-methylpropyl)quinoline
CID 12072851
[2-methyl-4-(2-methylpropyl)phenyl]-(1-methylquinolin-1-ium-2-yl)diazene
CID 90906879
10-propan-2-ylacridin-10-ium
CID 101440636
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
1,3-ditert-butyl-5-(2-methylpropyl)benzene;2-(2-methylpropyl)naphthalene
CID 159258781
tert-butyl 2-amino-2-[3-(1-methylquinolin-1-ium-3-yl)propanoyloxy]propanoate iodide
CID 67716131
ethane;1-hydroxy-2-methyl-3-propan-2-ylquinolin-1-ium
CID 144871796
3-(2-methylpropoxy)-1-propan-2-ylquinolin-1-ium
CID 155615473
N-(2-chlorophenyl)-N,1-dimethylquinolin-1-ium-3-amine
CID 71590015
formic acid;2-methylpropylbenzene
CID 162001374
N,N-dimethyl-4-[(E)-2-(1-methylquinolin-1-ium-3-yl)ethenyl]aniline
CID 122228565

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(2-methylpropyl)quinolin-1-ium?
The IUPAC name of ethane;1-methyl-3-(2-methylpropyl)quinolin-1-ium (CID 155692555) is ethane;1-methyl-3-(2-methylpropyl)quinolin-1-ium.
What is the SMILES notation for ethane;1-methyl-3-(2-methylpropyl)quinolin-1-ium?
The canonical SMILES for ethane;1-methyl-3-(2-methylpropyl)quinolin-1-ium is CC.CC(C)Cc1cc2ccccc2[n+](C)c1.
What is the InChIKey of ethane;1-methyl-3-(2-methylpropyl)quinolin-1-ium?
The InChIKey is IMGSOXPEAMHHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N.C2H6/c1-11(2)8-12-9-13-6-4-5-7-14(13)15(3)10-12;1-2/h4-7,9-11H,8H2,1-3H3;1-2H3/q+1;.
What are the key properties of ethane;1-methyl-3-(2-methylpropyl)quinolin-1-ium?
ethane;1-methyl-3-(2-methylpropyl)quinolin-1-ium has a molecular weight of 230.37 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(2-methylpropyl)quinolin-1-ium is sourced from PubChem (CID 155692555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).