6-ethoxy-3-methyl-2,3,4,5-tetrahydropyridine

C8H15NO — CID 139353600

IUPAC6-ethoxy-3-methyl-2,3,4,5-tetrahydropyridine
SMILESCCOC1=NCC(C)CC1
InChIInChI=1S/C8H15NO/c1-3-10-8-5-4-7(2)6-9-8/h7H,3-6H2,1-2H3
InChIKeyBJWMHDREPQXQBC-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.85
Rot. Bonds1

About 6-ethoxy-3-methyl-2,3,4,5-tetrahydropyridine

6-ethoxy-3-methyl-2,3,4,5-tetrahydropyridine (PubChem CID 139353600) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 6-ethoxy-3-methyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-ethoxy-3-methyl-2,3,4,5-tetrahydropyridine
PubChem CID139353600
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name6-ethoxy-3-methyl-2,3,4,5-tetrahydropyridine
SMILESCCOC1=NCC(C)CC1
InChIInChI=1S/C8H15NO/c1-3-10-8-5-4-7(2)6-9-8/h7H,3-6H2,1-2H3
InChIKeyBJWMHDREPQXQBC-UHFFFAOYSA-N
XLogP1.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-methyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-ethoxy-3-methyl-2,3,4,5-tetrahydropyridine (CID 139353600) is 6-ethoxy-3-methyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-ethoxy-3-methyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-ethoxy-3-methyl-2,3,4,5-tetrahydropyridine is CCOC1=NCC(C)CC1.
What is the InChIKey of 6-ethoxy-3-methyl-2,3,4,5-tetrahydropyridine?
The InChIKey is BJWMHDREPQXQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-10-8-5-4-7(2)6-9-8/h7H,3-6H2,1-2H3.
What are the key properties of 6-ethoxy-3-methyl-2,3,4,5-tetrahydropyridine?
6-ethoxy-3-methyl-2,3,4,5-tetrahydropyridine has a molecular weight of 141.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-methyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 139353600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).