ethane;ethylbenzene;quinoline

C21H29N — CID 143401699

IUPACethane;ethylbenzene;quinoline
SMILESCC.CC.CCc1ccccc1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C8H10.2C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-8-6-4-3-5-7-8;2*1-2/h1-7H;3-7H,2H2,1H3;2*1-2H3
InChIKeyXAMWADPMADBMBY-UHFFFAOYSA-N
MW295.47 g/mol
LogP6.54
Rot. Bonds1

About ethane;ethylbenzene;quinoline

ethane;ethylbenzene;quinoline (PubChem CID 143401699) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is ethane;ethylbenzene;quinoline.

Molecular Properties

Compound Nameethane;ethylbenzene;quinoline
PubChem CID143401699
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC Nameethane;ethylbenzene;quinoline
SMILESCC.CC.CCc1ccccc1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C8H10.2C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-8-6-4-3-5-7-8;2*1-2/h1-7H;3-7H,2H2,1H3;2*1-2H3
InChIKeyXAMWADPMADBMBY-UHFFFAOYSA-N
XLogP6.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;ethylbenzene;6-ethylquinoline
CID 143817758
bromomethylbenzene;quinoline
CID 23497775
benzylbenzene;quinoline
CID 157081554
3-ethylquinoline;quinoline
CID 174966721
ethane;methanol;quinoline
CID 90686502
quinoline
CID 76974643
bis(2,2-dimethylpropane);ethane;quinoline
CID 159309624
quinoline;tetramethylsilane
CID 91292784
osmium(2+);quinoline
CID 158407120
hydron;quinoline
CID 131854096
quinoline;silver
CID 88761492
CID 175273158
CID 175273158

Frequently Asked Questions

What is the IUPAC name of ethane;ethylbenzene;quinoline?
The IUPAC name of ethane;ethylbenzene;quinoline (CID 143401699) is ethane;ethylbenzene;quinoline.
What is the SMILES notation for ethane;ethylbenzene;quinoline?
The canonical SMILES for ethane;ethylbenzene;quinoline is CC.CC.CCc1ccccc1.c1ccc2ncccc2c1.
What is the InChIKey of ethane;ethylbenzene;quinoline?
The InChIKey is XAMWADPMADBMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C8H10.2C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-8-6-4-3-5-7-8;2*1-2/h1-7H;3-7H,2H2,1H3;2*1-2H3.
What are the key properties of ethane;ethylbenzene;quinoline?
ethane;ethylbenzene;quinoline has a molecular weight of 295.47 g/mol, XLogP of 6.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethylbenzene;quinoline is sourced from PubChem (CID 143401699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).