3,5-diethyl-1-propyl-2H-pyridine

C12H21N — CID 67710027

IUPAC3,5-diethyl-1-propyl-2H-pyridine
SMILESCCCN1C=C(CC)C=C(CC)C1
InChIInChI=1S/C12H21N/c1-4-7-13-9-11(5-2)8-12(6-3)10-13/h8-9H,4-7,10H2,1-3H3
InChIKeyBXGSWBNNVMUTOD-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.34
Rot. Bonds4

About 3,5-diethyl-1-propyl-2H-pyridine

3,5-diethyl-1-propyl-2H-pyridine (PubChem CID 67710027) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3,5-diethyl-1-propyl-2H-pyridine.

Molecular Properties

Compound Name3,5-diethyl-1-propyl-2H-pyridine
PubChem CID67710027
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3,5-diethyl-1-propyl-2H-pyridine
SMILESCCCN1C=C(CC)C=C(CC)C1
InChIInChI=1S/C12H21N/c1-4-7-13-9-11(5-2)8-12(6-3)10-13/h8-9H,4-7,10H2,1-3H3
InChIKeyBXGSWBNNVMUTOD-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,5-diethyl-1-propyl-2H-pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-propyl-2H-pyridine?
The IUPAC name of 3,5-diethyl-1-propyl-2H-pyridine (CID 67710027) is 3,5-diethyl-1-propyl-2H-pyridine.
What is the SMILES notation for 3,5-diethyl-1-propyl-2H-pyridine?
The canonical SMILES for 3,5-diethyl-1-propyl-2H-pyridine is CCCN1C=C(CC)C=C(CC)C1.
What is the InChIKey of 3,5-diethyl-1-propyl-2H-pyridine?
The InChIKey is BXGSWBNNVMUTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-4-7-13-9-11(5-2)8-12(6-3)10-13/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 3,5-diethyl-1-propyl-2H-pyridine?
3,5-diethyl-1-propyl-2H-pyridine has a molecular weight of 179.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-propyl-2H-pyridine is sourced from PubChem (CID 67710027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).