4-ethyl-2,3-dimethyl-6-propan-2-ylpyridine

C12H19N — CID 176979223

IUPAC4-ethyl-2,3-dimethyl-6-propan-2-ylpyridine
SMILESCCc1cc(C(C)C)nc(C)c1C
InChIInChI=1S/C12H19N/c1-6-11-7-12(8(2)3)13-10(5)9(11)4/h7-8H,6H2,1-5H3
InChIKeyMJTCUZQCJWGMSH-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.38
Rot. Bonds2

About 4-ethyl-2,3-dimethyl-6-propan-2-ylpyridine

4-ethyl-2,3-dimethyl-6-propan-2-ylpyridine (PubChem CID 176979223) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 4-ethyl-2,3-dimethyl-6-propan-2-ylpyridine.

Molecular Properties

Compound Name4-ethyl-2,3-dimethyl-6-propan-2-ylpyridine
PubChem CID176979223
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name4-ethyl-2,3-dimethyl-6-propan-2-ylpyridine
SMILESCCc1cc(C(C)C)nc(C)c1C
InChIInChI=1S/C12H19N/c1-6-11-7-12(8(2)3)13-10(5)9(11)4/h7-8H,6H2,1-5H3
InChIKeyMJTCUZQCJWGMSH-UHFFFAOYSA-N
XLogP3.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dimethyl-6-propan-2-ylpyridine?
The IUPAC name of 4-ethyl-2,3-dimethyl-6-propan-2-ylpyridine (CID 176979223) is 4-ethyl-2,3-dimethyl-6-propan-2-ylpyridine.
What is the SMILES notation for 4-ethyl-2,3-dimethyl-6-propan-2-ylpyridine?
The canonical SMILES for 4-ethyl-2,3-dimethyl-6-propan-2-ylpyridine is CCc1cc(C(C)C)nc(C)c1C.
What is the InChIKey of 4-ethyl-2,3-dimethyl-6-propan-2-ylpyridine?
The InChIKey is MJTCUZQCJWGMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-6-11-7-12(8(2)3)13-10(5)9(11)4/h7-8H,6H2,1-5H3.
What are the key properties of 4-ethyl-2,3-dimethyl-6-propan-2-ylpyridine?
4-ethyl-2,3-dimethyl-6-propan-2-ylpyridine has a molecular weight of 177.29 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dimethyl-6-propan-2-ylpyridine is sourced from PubChem (CID 176979223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).