2-methoxy-N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]ethanamine

C14H20N2O — CID 80525666

IUPAC2-methoxy-N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]ethanamine
SMILESCOCCNCC1(c2ccncc2)CC=CC1
InChIInChI=1S/C14H20N2O/c1-17-11-10-16-12-14(6-2-3-7-14)13-4-8-15-9-5-13/h2-5,8-9,16H,6-7,10-12H2,1H3
InChIKeyIIALCDFLEDZTDQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.91
Rot. Bonds6

About 2-methoxy-N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]ethanamine

2-methoxy-N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]ethanamine (PubChem CID 80525666) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-methoxy-N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]ethanamine
PubChem CID80525666
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-methoxy-N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]ethanamine
SMILESCOCCNCC1(c2ccncc2)CC=CC1
InChIInChI=1S/C14H20N2O/c1-17-11-10-16-12-14(6-2-3-7-14)13-4-8-15-9-5-13/h2-5,8-9,16H,6-7,10-12H2,1H3
InChIKeyIIALCDFLEDZTDQ-UHFFFAOYSA-N
XLogP1.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.91
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]ethanamine (CID 80525666) is 2-methoxy-N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]ethanamine is COCCNCC1(c2ccncc2)CC=CC1.
What is the InChIKey of 2-methoxy-N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]ethanamine?
The InChIKey is IIALCDFLEDZTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-17-11-10-16-12-14(6-2-3-7-14)13-4-8-15-9-5-13/h2-5,8-9,16H,6-7,10-12H2,1H3.
What are the key properties of 2-methoxy-N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]ethanamine?
2-methoxy-N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]ethanamine has a molecular weight of 232.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]ethanamine is sourced from PubChem (CID 80525666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).