ethane;ethylbenzene;3-ethylpyridine

C19H31N — CID 145171299

IUPACethane;ethylbenzene;3-ethylpyridine
SMILESCC.CC.CCc1ccccc1.CCc1cccnc1
InChIInChI=1S/C8H10.C7H9N.2C2H6/c1-2-8-6-4-3-5-7-8;1-2-7-4-3-5-8-6-7;2*1-2/h3-7H,2H2,1H3;3-6H,2H2,1H3;2*1-2H3
InChIKeySEBIJNHHTDGVMA-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.95
Rot. Bonds2

About ethane;ethylbenzene;3-ethylpyridine

ethane;ethylbenzene;3-ethylpyridine (PubChem CID 145171299) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is ethane;ethylbenzene;3-ethylpyridine.

Molecular Properties

Compound Nameethane;ethylbenzene;3-ethylpyridine
PubChem CID145171299
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Nameethane;ethylbenzene;3-ethylpyridine
SMILESCC.CC.CCc1ccccc1.CCc1cccnc1
InChIInChI=1S/C8H10.C7H9N.2C2H6/c1-2-8-6-4-3-5-7-8;1-2-7-4-3-5-8-6-7;2*1-2/h3-7H,2H2,1H3;3-6H,2H2,1H3;2*1-2H3
InChIKeySEBIJNHHTDGVMA-UHFFFAOYSA-N
XLogP5.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethylpyridine
CID 10823
azane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine
CID 169427277
ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;methane
CID 158586506
ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;propane
CID 159885585
ethane;ethylbenzene
CID 90887003
3-[[4-(4-ethylphenyl)phenyl]methyl]pyridine
CID 143881786
ethane;ethylbenzene;propane
CID 91199618
ethylcyclodecapentaene
CID 90861705
6-ethylazecin-3-ol
CID 89227055
ethane;ethylbenzene;methanol
CID 90833594
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
sulfanium ethylbenzene
CID 22726309

Frequently Asked Questions

What is the IUPAC name of ethane;ethylbenzene;3-ethylpyridine?
The IUPAC name of ethane;ethylbenzene;3-ethylpyridine (CID 145171299) is ethane;ethylbenzene;3-ethylpyridine.
What is the SMILES notation for ethane;ethylbenzene;3-ethylpyridine?
The canonical SMILES for ethane;ethylbenzene;3-ethylpyridine is CC.CC.CCc1ccccc1.CCc1cccnc1.
What is the InChIKey of ethane;ethylbenzene;3-ethylpyridine?
The InChIKey is SEBIJNHHTDGVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H9N.2C2H6/c1-2-8-6-4-3-5-7-8;1-2-7-4-3-5-8-6-7;2*1-2/h3-7H,2H2,1H3;3-6H,2H2,1H3;2*1-2H3.
What are the key properties of ethane;ethylbenzene;3-ethylpyridine?
ethane;ethylbenzene;3-ethylpyridine has a molecular weight of 273.46 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethylbenzene;3-ethylpyridine is sourced from PubChem (CID 145171299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).