4-(2-ethoxyethoxymethyl)-1,2,3,6-tetrahydropyridine

C10H19NO2 — CID 114404464

IUPAC4-(2-ethoxyethoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESCCOCCOCC1=CCNCC1
InChIInChI=1S/C10H19NO2/c1-2-12-7-8-13-9-10-3-5-11-6-4-10/h3,11H,2,4-9H2,1H3
InChIKeyDKRWIOZPJOCXCM-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.96
Rot. Bonds6

About 4-(2-ethoxyethoxymethyl)-1,2,3,6-tetrahydropyridine

4-(2-ethoxyethoxymethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 114404464) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(2-ethoxyethoxymethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(2-ethoxyethoxymethyl)-1,2,3,6-tetrahydropyridine
PubChem CID114404464
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-(2-ethoxyethoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESCCOCCOCC1=CCNCC1
InChIInChI=1S/C10H19NO2/c1-2-12-7-8-13-9-10-3-5-11-6-4-10/h3,11H,2,4-9H2,1H3
InChIKeyDKRWIOZPJOCXCM-UHFFFAOYSA-N
XLogP0.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-ethoxyethoxymethyl)-1,2,3,6-tetrahydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Methoxymethyl)-1,2,3,6-tetrahydropyridine hydrochloride
CID 75481406
4-(Methoxymethyl)-1,2,3,6-tetrahydropyridine
CID 14442217
4-(2,2,2-Trifluoroethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404454
4-(2,2-Difluoroethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404638
4-(4,4,4-Trifluorobutoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404639
4-(3,3,3-Trifluoropropoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404641
1-(3,6-dihydro-2H-pyran-4-yl)-N-methylmethanamine
CID 130900413
N-[2-(3,6-dihydro-2H-pyran-5-yl)ethyl]-3,3-dimethylbutan-1-amine;molecular hydrogen
CID 143543963
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
Methoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine
CID 163951235
5-ethoxy-4-methyl-N-propylpent-3-en-1-amine
CID 79597967
4-methyl-5-propoxy-N-propylpent-3-en-1-amine
CID 79598097

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxymethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(2-ethoxyethoxymethyl)-1,2,3,6-tetrahydropyridine (CID 114404464) is 4-(2-ethoxyethoxymethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(2-ethoxyethoxymethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(2-ethoxyethoxymethyl)-1,2,3,6-tetrahydropyridine is CCOCCOCC1=CCNCC1.
What is the InChIKey of 4-(2-ethoxyethoxymethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is DKRWIOZPJOCXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-12-7-8-13-9-10-3-5-11-6-4-10/h3,11H,2,4-9H2,1H3.
What are the key properties of 4-(2-ethoxyethoxymethyl)-1,2,3,6-tetrahydropyridine?
4-(2-ethoxyethoxymethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 185.27 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxymethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 114404464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).