4-(methoxymethyl)-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine

C13H24N2O — CID 114410943

IUPAC4-(methoxymethyl)-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine
SMILESCOCC1=CCN(CCC2CCCN2)CC1
InChIInChI=1S/C13H24N2O/c1-16-11-12-4-8-15(9-5-12)10-6-13-3-2-7-14-13/h4,13-14H,2-3,5-11H2,1H3
InChIKeyOODVCZKBJGXOFW-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.41
Rot. Bonds5

About 4-(methoxymethyl)-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine

4-(methoxymethyl)-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine (PubChem CID 114410943) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(methoxymethyl)-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine
PubChem CID114410943
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-(methoxymethyl)-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine
SMILESCOCC1=CCN(CCC2CCCN2)CC1
InChIInChI=1S/C13H24N2O/c1-16-11-12-4-8-15(9-5-12)10-6-13-3-2-7-14-13/h4,13-14H,2-3,5-11H2,1H3
InChIKeyOODVCZKBJGXOFW-UHFFFAOYSA-N
XLogP1.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine
CID 166094131
4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 102776256
4-(methoxymethyl)-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]-3,6-dihydro-2H-pyridine
CID 105576215
4-(methoxymethyl)-1-[(2-propylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 106976552
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4,4-dimethylpentan-3-amine
CID 113581621
7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-amine
CID 113581631
4-(methoxymethyl)-1-(3-piperidin-2-ylpropyl)-3,6-dihydro-2H-pyridine
CID 113581634
N-[4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentyl]cyclopropanamine
CID 113582029
2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpentan-1-amine
CID 113582030
N-ethyl-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
CID 113582032
N-[3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbutyl]cyclopropanamine
CID 113582037
3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-N-propylbutan-1-amine
CID 113582038

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(methoxymethyl)-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine (CID 114410943) is 4-(methoxymethyl)-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(methoxymethyl)-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(methoxymethyl)-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine is COCC1=CCN(CCC2CCCN2)CC1.
What is the InChIKey of 4-(methoxymethyl)-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is OODVCZKBJGXOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-16-11-12-4-8-15(9-5-12)10-6-13-3-2-7-14-13/h4,13-14H,2-3,5-11H2,1H3.
What are the key properties of 4-(methoxymethyl)-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine?
4-(methoxymethyl)-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 224.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-(2-pyrrolidin-2-ylethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114410943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).