5-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine

C8H15NO — CID 84716251

IUPAC5-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine
SMILESCOCCC1=CCCNC1
InChIInChI=1S/C8H15NO/c1-10-6-4-8-3-2-5-9-7-8/h3,9H,2,4-7H2,1H3
InChIKeyBQQMEFOEQNMNET-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds3

About 5-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine

5-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 84716251) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine
PubChem CID84716251
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine
SMILESCOCCC1=CCCNC1
InChIInChI=1S/C8H15NO/c1-10-6-4-8-3-2-5-9-7-8/h3,9H,2,4-7H2,1H3
InChIKeyBQQMEFOEQNMNET-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(Methoxymethyl)-1,2,3,6-tetrahydropyridine hydrochloride
CID 75481406
4-(Methoxymethyl)-1,2,3,6-tetrahydropyridine
CID 14442217
2-(1,2,3,6-Tetrahydropyridin-5-yl)ethanol
CID 84072823
(E)-6-methoxy-4-methylidene-N-propan-2-yl-2-prop-1-en-2-ylhex-2-en-1-amine
CID 143394697
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
Methoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine
CID 163951235
Ethane;methoxyethane;4-methyl-1,2,3,6-tetrahydropyridine;hydrate
CID 164919352
N-(4-methoxybutyl)-2-methylidenebutan-1-amine
CID 66046174
N-ethyl-7-methoxy-2-methylhept-2-en-4-amine
CID 79177731
7-methoxy-2-methyl-N-propylhept-2-en-4-amine
CID 79177953
4-(2-Methoxyethyl)-1,2,3,6-tetrahydropyridine
CID 84716250
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716253

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine (CID 84716251) is 5-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine is COCCC1=CCCNC1.
What is the InChIKey of 5-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is BQQMEFOEQNMNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-10-6-4-8-3-2-5-9-7-8/h3,9H,2,4-7H2,1H3.
What are the key properties of 5-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine?
5-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 141.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 84716251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).