4-(methoxymethyl)-1-[(2-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine

C13H24N2O — CID 114410918

IUPAC4-(methoxymethyl)-1-[(2-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESCOCC1=CCN(CC2(C)CCCN2)CC1
InChIInChI=1S/C13H24N2O/c1-13(6-3-7-14-13)11-15-8-4-12(5-9-15)10-16-2/h4,14H,3,5-11H2,1-2H3
InChIKeyGEBLFOFAOKVKCZ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.41
Rot. Bonds4

About 4-(methoxymethyl)-1-[(2-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine

4-(methoxymethyl)-1-[(2-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 114410918) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-[(2-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(methoxymethyl)-1-[(2-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
PubChem CID114410918
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-(methoxymethyl)-1-[(2-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESCOCC1=CCN(CC2(C)CCCN2)CC1
InChIInChI=1S/C13H24N2O/c1-13(6-3-7-14-13)11-15-8-4-12(5-9-15)10-16-2/h4,14H,3,5-11H2,1-2H3
InChIKeyGEBLFOFAOKVKCZ-UHFFFAOYSA-N
XLogP1.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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
2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpentan-1-amine
CID 113582030
2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-N-propylbutan-1-amine
CID 113582031
N-ethyl-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
CID 113582032
4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpentan-1-amine
CID 113582043
5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpentan-1-amine
CID 113582047
N-ethyl-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-1-amine
CID 113582048
4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpentan-1-amine
CID 113582049
4-(methoxymethyl)-1-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-3,6-dihydro-2H-pyridine
CID 113900885
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbutan-2-amine
CID 114410906

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-[(2-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(methoxymethyl)-1-[(2-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine (CID 114410918) is 4-(methoxymethyl)-1-[(2-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(methoxymethyl)-1-[(2-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(methoxymethyl)-1-[(2-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine is COCC1=CCN(CC2(C)CCCN2)CC1.
What is the InChIKey of 4-(methoxymethyl)-1-[(2-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is GEBLFOFAOKVKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(6-3-7-14-13)11-15-8-4-12(5-9-15)10-16-2/h4,14H,3,5-11H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-1-[(2-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine?
4-(methoxymethyl)-1-[(2-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 224.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-[(2-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114410918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).