5-[(5-ethyl-6-methoxy-2H-pyridin-1-yl)oxy]pentan-1-amine

C13H24N2O2 — CID 134292171

IUPAC5-[(5-ethyl-6-methoxy-2H-pyridin-1-yl)oxy]pentan-1-amine
SMILESCCC1=C(OC)N(OCCCCCN)CC=C1
InChIInChI=1S/C13H24N2O2/c1-3-12-8-7-10-15(13(12)16-2)17-11-6-4-5-9-14/h7-8H,3-6,9-11,14H2,1-2H3
InChIKeyUGQOQWBVJFHBQW-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.19
Rot. Bonds8

About 5-[(5-ethyl-6-methoxy-2H-pyridin-1-yl)oxy]pentan-1-amine

5-[(5-ethyl-6-methoxy-2H-pyridin-1-yl)oxy]pentan-1-amine (PubChem CID 134292171) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-[(5-ethyl-6-methoxy-2H-pyridin-1-yl)oxy]pentan-1-amine.

Molecular Properties

Compound Name5-[(5-ethyl-6-methoxy-2H-pyridin-1-yl)oxy]pentan-1-amine
PubChem CID134292171
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name5-[(5-ethyl-6-methoxy-2H-pyridin-1-yl)oxy]pentan-1-amine
SMILESCCC1=C(OC)N(OCCCCCN)CC=C1
InChIInChI=1S/C13H24N2O2/c1-3-12-8-7-10-15(13(12)16-2)17-11-6-4-5-9-14/h7-8H,3-6,9-11,14H2,1-2H3
InChIKeyUGQOQWBVJFHBQW-UHFFFAOYSA-N
XLogP2.19
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-6-methoxy-2H-pyridin-1-yl)oxy]pentan-1-amine?
The IUPAC name of 5-[(5-ethyl-6-methoxy-2H-pyridin-1-yl)oxy]pentan-1-amine (CID 134292171) is 5-[(5-ethyl-6-methoxy-2H-pyridin-1-yl)oxy]pentan-1-amine.
What is the SMILES notation for 5-[(5-ethyl-6-methoxy-2H-pyridin-1-yl)oxy]pentan-1-amine?
The canonical SMILES for 5-[(5-ethyl-6-methoxy-2H-pyridin-1-yl)oxy]pentan-1-amine is CCC1=C(OC)N(OCCCCCN)CC=C1.
What is the InChIKey of 5-[(5-ethyl-6-methoxy-2H-pyridin-1-yl)oxy]pentan-1-amine?
The InChIKey is UGQOQWBVJFHBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-12-8-7-10-15(13(12)16-2)17-11-6-4-5-9-14/h7-8H,3-6,9-11,14H2,1-2H3.
What are the key properties of 5-[(5-ethyl-6-methoxy-2H-pyridin-1-yl)oxy]pentan-1-amine?
5-[(5-ethyl-6-methoxy-2H-pyridin-1-yl)oxy]pentan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-6-methoxy-2H-pyridin-1-yl)oxy]pentan-1-amine is sourced from PubChem (CID 134292171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).