4-ethyl-1,2-dimethyl-3-propyl-2H-pyridine

C12H21N — CID 129060221

IUPAC4-ethyl-1,2-dimethyl-3-propyl-2H-pyridine
SMILESCCCC1=C(CC)C=CN(C)C1C
InChIInChI=1S/C12H21N/c1-5-7-12-10(3)13(4)9-8-11(12)6-2/h8-10H,5-7H2,1-4H3
InChIKeyWSXQKKGMYINDEX-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.34
Rot. Bonds3

About 4-ethyl-1,2-dimethyl-3-propyl-2H-pyridine

4-ethyl-1,2-dimethyl-3-propyl-2H-pyridine (PubChem CID 129060221) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 4-ethyl-1,2-dimethyl-3-propyl-2H-pyridine.

Molecular Properties

Compound Name4-ethyl-1,2-dimethyl-3-propyl-2H-pyridine
PubChem CID129060221
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name4-ethyl-1,2-dimethyl-3-propyl-2H-pyridine
SMILESCCCC1=C(CC)C=CN(C)C1C
InChIInChI=1S/C12H21N/c1-5-7-12-10(3)13(4)9-8-11(12)6-2/h8-10H,5-7H2,1-4H3
InChIKeyWSXQKKGMYINDEX-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,2-dimethyl-3-propyl-2H-pyridine?
The IUPAC name of 4-ethyl-1,2-dimethyl-3-propyl-2H-pyridine (CID 129060221) is 4-ethyl-1,2-dimethyl-3-propyl-2H-pyridine.
What is the SMILES notation for 4-ethyl-1,2-dimethyl-3-propyl-2H-pyridine?
The canonical SMILES for 4-ethyl-1,2-dimethyl-3-propyl-2H-pyridine is CCCC1=C(CC)C=CN(C)C1C.
What is the InChIKey of 4-ethyl-1,2-dimethyl-3-propyl-2H-pyridine?
The InChIKey is WSXQKKGMYINDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-5-7-12-10(3)13(4)9-8-11(12)6-2/h8-10H,5-7H2,1-4H3.
What are the key properties of 4-ethyl-1,2-dimethyl-3-propyl-2H-pyridine?
4-ethyl-1,2-dimethyl-3-propyl-2H-pyridine has a molecular weight of 179.31 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,2-dimethyl-3-propyl-2H-pyridine is sourced from PubChem (CID 129060221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).