1-[5-(1-ethoxyethenyl)-2-pyridinyl]-N-ethylethanamine

C13H20N2O — CID 165464510

IUPAC1-[5-(1-ethoxyethenyl)-2-pyridinyl]-N-ethylethanamine
SMILESC=C(OCC)c1ccc(C(C)NCC)nc1
InChIInChI=1S/C13H20N2O/c1-5-14-10(3)13-8-7-12(9-15-13)11(4)16-6-2/h7-10,14H,4-6H2,1-3H3
InChIKeyIVSIAFZGTQEFAI-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.76
Rot. Bonds6

About 1-[5-(1-ethoxyethenyl)-2-pyridinyl]-N-ethylethanamine

1-[5-(1-ethoxyethenyl)-2-pyridinyl]-N-ethylethanamine (PubChem CID 165464510) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[5-(1-ethoxyethenyl)-2-pyridinyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(1-ethoxyethenyl)-2-pyridinyl]-N-ethylethanamine
PubChem CID165464510
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[5-(1-ethoxyethenyl)-2-pyridinyl]-N-ethylethanamine
SMILESC=C(OCC)c1ccc(C(C)NCC)nc1
InChIInChI=1S/C13H20N2O/c1-5-14-10(3)13-8-7-12(9-15-13)11(4)16-6-2/h7-10,14H,4-6H2,1-3H3
InChIKeyIVSIAFZGTQEFAI-UHFFFAOYSA-N
XLogP2.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-ethoxyethenyl)-2-pyridinyl]-N-ethylethanamine?
The IUPAC name of 1-[5-(1-ethoxyethenyl)-2-pyridinyl]-N-ethylethanamine (CID 165464510) is 1-[5-(1-ethoxyethenyl)-2-pyridinyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(1-ethoxyethenyl)-2-pyridinyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(1-ethoxyethenyl)-2-pyridinyl]-N-ethylethanamine is C=C(OCC)c1ccc(C(C)NCC)nc1.
What is the InChIKey of 1-[5-(1-ethoxyethenyl)-2-pyridinyl]-N-ethylethanamine?
The InChIKey is IVSIAFZGTQEFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-14-10(3)13-8-7-12(9-15-13)11(4)16-6-2/h7-10,14H,4-6H2,1-3H3.
What are the key properties of 1-[5-(1-ethoxyethenyl)-2-pyridinyl]-N-ethylethanamine?
1-[5-(1-ethoxyethenyl)-2-pyridinyl]-N-ethylethanamine has a molecular weight of 220.32 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-ethoxyethenyl)-2-pyridinyl]-N-ethylethanamine is sourced from PubChem (CID 165464510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).