1,6-diethyl-2,2,4,5-tetramethyl-3,4-dihydropyridine

C13H25N — CID 90775473

IUPAC1,6-diethyl-2,2,4,5-tetramethyl-3,4-dihydropyridine
SMILESCCC1=C(C)C(C)CC(C)(C)N1CC
InChIInChI=1S/C13H25N/c1-7-12-11(4)10(3)9-13(5,6)14(12)8-2/h10H,7-9H2,1-6H3
InChIKeyZRGGCYOPYCLDAW-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.81
Rot. Bonds2

About 1,6-diethyl-2,2,4,5-tetramethyl-3,4-dihydropyridine

1,6-diethyl-2,2,4,5-tetramethyl-3,4-dihydropyridine (PubChem CID 90775473) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1,6-diethyl-2,2,4,5-tetramethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name1,6-diethyl-2,2,4,5-tetramethyl-3,4-dihydropyridine
PubChem CID90775473
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1,6-diethyl-2,2,4,5-tetramethyl-3,4-dihydropyridine
SMILESCCC1=C(C)C(C)CC(C)(C)N1CC
InChIInChI=1S/C13H25N/c1-7-12-11(4)10(3)9-13(5,6)14(12)8-2/h10H,7-9H2,1-6H3
InChIKeyZRGGCYOPYCLDAW-UHFFFAOYSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,6-diethyl-2,2,4,5-tetramethyl-3,4-dihydropyridine?
The IUPAC name of 1,6-diethyl-2,2,4,5-tetramethyl-3,4-dihydropyridine (CID 90775473) is 1,6-diethyl-2,2,4,5-tetramethyl-3,4-dihydropyridine.
What is the SMILES notation for 1,6-diethyl-2,2,4,5-tetramethyl-3,4-dihydropyridine?
The canonical SMILES for 1,6-diethyl-2,2,4,5-tetramethyl-3,4-dihydropyridine is CCC1=C(C)C(C)CC(C)(C)N1CC.
What is the InChIKey of 1,6-diethyl-2,2,4,5-tetramethyl-3,4-dihydropyridine?
The InChIKey is ZRGGCYOPYCLDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-7-12-11(4)10(3)9-13(5,6)14(12)8-2/h10H,7-9H2,1-6H3.
What are the key properties of 1,6-diethyl-2,2,4,5-tetramethyl-3,4-dihydropyridine?
1,6-diethyl-2,2,4,5-tetramethyl-3,4-dihydropyridine has a molecular weight of 195.35 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 1,6-diethyl-2,2,4,5-tetramethyl-3,4-dihydropyridine is sourced from PubChem (CID 90775473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).