3-ethyl-2-methoxy-2,3,4,5-tetrahydropyridine

C8H15NO — CID 140972594

IUPAC3-ethyl-2-methoxy-2,3,4,5-tetrahydropyridine
SMILESCCC1CCC=NC1OC
InChIInChI=1S/C8H15NO/c1-3-7-5-4-6-9-8(7)10-2/h6-8H,3-5H2,1-2H3
InChIKeyZCBBLCCPZPRIHD-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.85
Rot. Bonds2

About 3-ethyl-2-methoxy-2,3,4,5-tetrahydropyridine

3-ethyl-2-methoxy-2,3,4,5-tetrahydropyridine (PubChem CID 140972594) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-ethyl-2-methoxy-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name3-ethyl-2-methoxy-2,3,4,5-tetrahydropyridine
PubChem CID140972594
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-ethyl-2-methoxy-2,3,4,5-tetrahydropyridine
SMILESCCC1CCC=NC1OC
InChIInChI=1S/C8H15NO/c1-3-7-5-4-6-9-8(7)10-2/h6-8H,3-5H2,1-2H3
InChIKeyZCBBLCCPZPRIHD-UHFFFAOYSA-N
XLogP1.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 3-ethyl-2-methoxy-2,3,4,5-tetrahydropyridine?
The IUPAC name of 3-ethyl-2-methoxy-2,3,4,5-tetrahydropyridine (CID 140972594) is 3-ethyl-2-methoxy-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 3-ethyl-2-methoxy-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 3-ethyl-2-methoxy-2,3,4,5-tetrahydropyridine is CCC1CCC=NC1OC.
What is the InChIKey of 3-ethyl-2-methoxy-2,3,4,5-tetrahydropyridine?
The InChIKey is ZCBBLCCPZPRIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-7-5-4-6-9-8(7)10-2/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-2-methoxy-2,3,4,5-tetrahydropyridine?
3-ethyl-2-methoxy-2,3,4,5-tetrahydropyridine has a molecular weight of 141.21 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methoxy-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 140972594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).