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

C14H26N2O — CID 114410935

IUPAC1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine
SMILESCCC1(CN2CC=C(COC)CC2)CCCN1
InChIInChI=1S/C14H26N2O/c1-3-14(7-4-8-15-14)12-16-9-5-13(6-10-16)11-17-2/h5,15H,3-4,6-12H2,1-2H3
InChIKeyHBMQQLHHKPPOJL-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.80
Rot. Bonds5

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

1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine (PubChem CID 114410935) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine
PubChem CID114410935
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine
SMILESCCC1(CN2CC=C(COC)CC2)CCCN1
InChIInChI=1S/C14H26N2O/c1-3-14(7-4-8-15-14)12-16-9-5-13(6-10-16)11-17-2/h5,15H,3-4,6-12H2,1-2H3
InChIKeyHBMQQLHHKPPOJL-UHFFFAOYSA-N
XLogP1.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine (CID 114410935) is 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine is CCC1(CN2CC=C(COC)CC2)CCCN1.
What is the InChIKey of 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is HBMQQLHHKPPOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-14(7-4-8-15-14)12-16-9-5-13(6-10-16)11-17-2/h5,15H,3-4,6-12H2,1-2H3.
What are the key properties of 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine?
1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 238.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114410935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).