4-cyclopropyl-2-ethyl-3,5-dimethylpyridine;ethane

C16H29N — CID 142306392

IUPAC4-cyclopropyl-2-ethyl-3,5-dimethylpyridine;ethane
SMILESCC.CC.CCc1ncc(C)c(C2CC2)c1C
InChIInChI=1S/C12H17N.2C2H6/c1-4-11-9(3)12(10-5-6-10)8(2)7-13-11;2*1-2/h7,10H,4-6H2,1-3H3;2*1-2H3
InChIKeyBGVXUXZZLSIVEV-UHFFFAOYSA-N
MW235.41 g/mol
LogP5.19
Rot. Bonds2

About 4-cyclopropyl-2-ethyl-3,5-dimethylpyridine;ethane

4-cyclopropyl-2-ethyl-3,5-dimethylpyridine;ethane (PubChem CID 142306392) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 4-cyclopropyl-2-ethyl-3,5-dimethylpyridine;ethane.

Molecular Properties

Compound Name4-cyclopropyl-2-ethyl-3,5-dimethylpyridine;ethane
PubChem CID142306392
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name4-cyclopropyl-2-ethyl-3,5-dimethylpyridine;ethane
SMILESCC.CC.CCc1ncc(C)c(C2CC2)c1C
InChIInChI=1S/C12H17N.2C2H6/c1-4-11-9(3)12(10-5-6-10)8(2)7-13-11;2*1-2/h7,10H,4-6H2,1-3H3;2*1-2H3
InChIKeyBGVXUXZZLSIVEV-UHFFFAOYSA-N
XLogP5.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-ethyl-3,5-dimethylpyridine;ethane?
The IUPAC name of 4-cyclopropyl-2-ethyl-3,5-dimethylpyridine;ethane (CID 142306392) is 4-cyclopropyl-2-ethyl-3,5-dimethylpyridine;ethane.
What is the SMILES notation for 4-cyclopropyl-2-ethyl-3,5-dimethylpyridine;ethane?
The canonical SMILES for 4-cyclopropyl-2-ethyl-3,5-dimethylpyridine;ethane is CC.CC.CCc1ncc(C)c(C2CC2)c1C.
What is the InChIKey of 4-cyclopropyl-2-ethyl-3,5-dimethylpyridine;ethane?
The InChIKey is BGVXUXZZLSIVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.2C2H6/c1-4-11-9(3)12(10-5-6-10)8(2)7-13-11;2*1-2/h7,10H,4-6H2,1-3H3;2*1-2H3.
What are the key properties of 4-cyclopropyl-2-ethyl-3,5-dimethylpyridine;ethane?
4-cyclopropyl-2-ethyl-3,5-dimethylpyridine;ethane has a molecular weight of 235.41 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-ethyl-3,5-dimethylpyridine;ethane is sourced from PubChem (CID 142306392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).