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

C8H15NO — CID 84716252

IUPAC5-(ethoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESCCOCC1=CCCNC1
InChIInChI=1S/C8H15NO/c1-2-10-7-8-4-3-5-9-6-8/h4,9H,2-3,5-7H2,1H3
InChIKeyDYBKLQAGKDPOJG-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds3

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

5-(ethoxymethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 84716252) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(ethoxymethyl)-1,2,3,6-tetrahydropyridine
PubChem CID84716252
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-(ethoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESCCOCC1=CCCNC1
InChIInChI=1S/C8H15NO/c1-2-10-7-8-4-3-5-9-6-8/h4,9H,2-3,5-7H2,1H3
InChIKeyDYBKLQAGKDPOJG-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
1,2,3,6-Tetrahydropyridin-5-ylmethoxymethanimidoyl fluoride
CID 18960966
(6-Methyl-1,2,3,6-tetrahydropyridin-5-yl)methoxymethanimidoyl fluoride
CID 54084079
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3,3,3-trifluoropropan-1-amine
CID 115742219
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine
CID 115742343
1,2,3,6-Tetrahydropyridin-5-ylmethoxymethanimidoyl chloride
CID 18960954
5-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 19933885
1,2,3,6-Tetrahydropyridin-5-ylmethyl acetate
CID 21710524
(6-Methyl-1,2,3,6-tetrahydropyridin-5-yl)methoxymethanimidoyl chloride
CID 54523476
6-Methoxy-1,2,3,6-tetrahydropyridine
CID 70426649
6-Methoxy-3-methyl-1,2,3,6-tetrahydropyridine
CID 89642580

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridine (CID 84716252) is 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridine is CCOCC1=CCCNC1.
What is the InChIKey of 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is DYBKLQAGKDPOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-10-7-8-4-3-5-9-6-8/h4,9H,2-3,5-7H2,1H3.
What are the key properties of 5-(ethoxymethyl)-1,2,3,6-tetrahydropyridine?
5-(ethoxymethyl)-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-(ethoxymethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 84716252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).