4-(diethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine

C11H21NO2 — CID 121223730

IUPAC4-(diethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCOC(OCC)C1=CCN(C)CC1
InChIInChI=1S/C11H21NO2/c1-4-13-11(14-5-2)10-6-8-12(3)9-7-10/h6,11H,4-5,7-9H2,1-3H3
InChIKeyHIMKTTOCMRPNSH-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.65
Rot. Bonds5

About 4-(diethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine

4-(diethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 121223730) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-(diethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(diethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID121223730
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-(diethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCOC(OCC)C1=CCN(C)CC1
InChIInChI=1S/C11H21NO2/c1-4-13-11(14-5-2)10-6-8-12(3)9-7-10/h6,11H,4-5,7-9H2,1-3H3
InChIKeyHIMKTTOCMRPNSH-UHFFFAOYSA-N
XLogP1.65
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(diethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(diethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine (CID 121223730) is 4-(diethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(diethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(diethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine is CCOC(OCC)C1=CCN(C)CC1.
What is the InChIKey of 4-(diethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is HIMKTTOCMRPNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-13-11(14-5-2)10-6-8-12(3)9-7-10/h6,11H,4-5,7-9H2,1-3H3.
What are the key properties of 4-(diethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine?
4-(diethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 199.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 121223730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).