ethane;2-ethylpyridine

C11H21N — CID 91102000

IUPACethane;2-ethylpyridine
SMILESCC.CC.CCc1ccccn1
InChIInChI=1S/C7H9N.2C2H6/c1-2-7-5-3-4-6-8-7;2*1-2/h3-6H,2H2,1H3;2*1-2H3
InChIKeyMHOJJOOZRPGYOT-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.70
Rot. Bonds1

About ethane;2-ethylpyridine

ethane;2-ethylpyridine (PubChem CID 91102000) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is ethane;2-ethylpyridine.

Molecular Properties

Compound Nameethane;2-ethylpyridine
PubChem CID91102000
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Nameethane;2-ethylpyridine
SMILESCC.CC.CCc1ccccn1
InChIInChI=1S/C7H9N.2C2H6/c1-2-7-5-3-4-6-8-7;2*1-2/h3-6H,2H2,1H3;2*1-2H3
InChIKeyMHOJJOOZRPGYOT-UHFFFAOYSA-N
XLogP3.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethylpyridine?
The IUPAC name of ethane;2-ethylpyridine (CID 91102000) is ethane;2-ethylpyridine.
What is the SMILES notation for ethane;2-ethylpyridine?
The canonical SMILES for ethane;2-ethylpyridine is CC.CC.CCc1ccccn1.
What is the InChIKey of ethane;2-ethylpyridine?
The InChIKey is MHOJJOOZRPGYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.2C2H6/c1-2-7-5-3-4-6-8-7;2*1-2/h3-6H,2H2,1H3;2*1-2H3.
What are the key properties of ethane;2-ethylpyridine?
ethane;2-ethylpyridine has a molecular weight of 167.30 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethylpyridine is sourced from PubChem (CID 91102000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).