3,6-diethyl-2,4,5-trimethyl-3,4-dihydropyridine

C12H21N — CID 144536483

IUPAC3,6-diethyl-2,4,5-trimethyl-3,4-dihydropyridine
SMILESCCC1=C(C)C(C)C(CC)C(C)=N1
InChIInChI=1S/C12H21N/c1-6-11-8(3)9(4)12(7-2)13-10(11)5/h8,11H,6-7H2,1-5H3
InChIKeyQFHRJUJAGDRMFL-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.81
Rot. Bonds2

About 3,6-diethyl-2,4,5-trimethyl-3,4-dihydropyridine

3,6-diethyl-2,4,5-trimethyl-3,4-dihydropyridine (PubChem CID 144536483) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3,6-diethyl-2,4,5-trimethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name3,6-diethyl-2,4,5-trimethyl-3,4-dihydropyridine
PubChem CID144536483
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3,6-diethyl-2,4,5-trimethyl-3,4-dihydropyridine
SMILESCCC1=C(C)C(C)C(CC)C(C)=N1
InChIInChI=1S/C12H21N/c1-6-11-8(3)9(4)12(7-2)13-10(11)5/h8,11H,6-7H2,1-5H3
InChIKeyQFHRJUJAGDRMFL-UHFFFAOYSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-2,4,5-trimethyl-3,4-dihydropyridine?
The IUPAC name of 3,6-diethyl-2,4,5-trimethyl-3,4-dihydropyridine (CID 144536483) is 3,6-diethyl-2,4,5-trimethyl-3,4-dihydropyridine.
What is the SMILES notation for 3,6-diethyl-2,4,5-trimethyl-3,4-dihydropyridine?
The canonical SMILES for 3,6-diethyl-2,4,5-trimethyl-3,4-dihydropyridine is CCC1=C(C)C(C)C(CC)C(C)=N1.
What is the InChIKey of 3,6-diethyl-2,4,5-trimethyl-3,4-dihydropyridine?
The InChIKey is QFHRJUJAGDRMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-6-11-8(3)9(4)12(7-2)13-10(11)5/h8,11H,6-7H2,1-5H3.
What are the key properties of 3,6-diethyl-2,4,5-trimethyl-3,4-dihydropyridine?
3,6-diethyl-2,4,5-trimethyl-3,4-dihydropyridine has a molecular weight of 179.31 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-2,4,5-trimethyl-3,4-dihydropyridine is sourced from PubChem (CID 144536483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).