ethane;4-ethylpyridine

C11H21N — CID 142005045

IUPACethane;4-ethylpyridine
SMILESCC.CC.CCc1ccncc1
InChIInChI=1S/C7H9N.2C2H6/c1-2-7-3-5-8-6-4-7;2*1-2/h3-6H,2H2,1H3;2*1-2H3
InChIKeyQBPLIPYLKPJMDG-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.70
Rot. Bonds1

About ethane;4-ethylpyridine

ethane;4-ethylpyridine (PubChem CID 142005045) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is ethane;4-ethylpyridine.

Molecular Properties

Compound Nameethane;4-ethylpyridine
PubChem CID142005045
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Nameethane;4-ethylpyridine
SMILESCC.CC.CCc1ccncc1
InChIInChI=1S/C7H9N.2C2H6/c1-2-7-3-5-8-6-4-7;2*1-2/h3-6H,2H2,1H3;2*1-2H3
InChIKeyQBPLIPYLKPJMDG-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

Analyze ethane;4-ethylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-ethylpyridine;methanol
CID 143096814
ethanol;4-ethylpyridine
CID 174816615
CID 167540277
CID 167540277
octakis(4-ethylpyridine);bis(manganese(2+));tetraisothiocyanate
CID 139147166
4-ethylpyridine;(methoxyamino)oxymethane
CID 174441911
1,4-diethylbenzene;ethane
CID 91207141
1-chlorotetradecane;4-ethylpyridine
CID 70356859
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
ethane;4-(fluoromethyl)pyridine
CID 143599831
1,4-diethylbenzene;ethane;methane
CID 166131756
4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine
CID 66454835
4-[chloro-(4-ethylphenyl)methyl]pyridine
CID 114996829

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethylpyridine?
The IUPAC name of ethane;4-ethylpyridine (CID 142005045) is ethane;4-ethylpyridine.
What is the SMILES notation for ethane;4-ethylpyridine?
The canonical SMILES for ethane;4-ethylpyridine is CC.CC.CCc1ccncc1.
What is the InChIKey of ethane;4-ethylpyridine?
The InChIKey is QBPLIPYLKPJMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.2C2H6/c1-2-7-3-5-8-6-4-7;2*1-2/h3-6H,2H2,1H3;2*1-2H3.
What are the key properties of ethane;4-ethylpyridine?
ethane;4-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;4-ethylpyridine is sourced from PubChem (CID 142005045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).