1-(5-octoxy-2-pyridinyl)ethanamine

C15H26N2O — CID 83124085

IUPAC1-(5-octoxy-2-pyridinyl)ethanamine
SMILESCCCCCCCCOc1ccc(C(C)N)nc1
InChIInChI=1S/C15H26N2O/c1-3-4-5-6-7-8-11-18-14-9-10-15(13(2)16)17-12-14/h9-10,12-13H,3-8,11,16H2,1-2H3
InChIKeyVGNSOYDCOGWFDI-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.84
Rot. Bonds9

About 1-(5-octoxy-2-pyridinyl)ethanamine

1-(5-octoxy-2-pyridinyl)ethanamine (PubChem CID 83124085) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(5-octoxy-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(5-octoxy-2-pyridinyl)ethanamine
PubChem CID83124085
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(5-octoxy-2-pyridinyl)ethanamine
SMILESCCCCCCCCOc1ccc(C(C)N)nc1
InChIInChI=1S/C15H26N2O/c1-3-4-5-6-7-8-11-18-14-9-10-15(13(2)16)17-12-14/h9-10,12-13H,3-8,11,16H2,1-2H3
InChIKeyVGNSOYDCOGWFDI-UHFFFAOYSA-N
XLogP3.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-pentoxy-2-pyridinyl)ethanamine
CID 83123207
(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
CID 83124335
(1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine
CID 83123515
1-[5-(2-methoxyethoxy)-2-pyridinyl]ethanamine
CID 83127602
(1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine
CID 83127275
N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine
CID 83124328
(1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine
CID 83123438
N-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine
CID 83123208
1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine
CID 83128080
1-(5-hexoxy-2-pyridinyl)propan-2-amine
CID 79800440
1-(5-decoxy-2-pyridinyl)propan-2-amine
CID 79790628
(1R)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine
CID 83123240

Frequently Asked Questions

What is the IUPAC name of 1-(5-octoxy-2-pyridinyl)ethanamine?
The IUPAC name of 1-(5-octoxy-2-pyridinyl)ethanamine (CID 83124085) is 1-(5-octoxy-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(5-octoxy-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(5-octoxy-2-pyridinyl)ethanamine is CCCCCCCCOc1ccc(C(C)N)nc1.
What is the InChIKey of 1-(5-octoxy-2-pyridinyl)ethanamine?
The InChIKey is VGNSOYDCOGWFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-4-5-6-7-8-11-18-14-9-10-15(13(2)16)17-12-14/h9-10,12-13H,3-8,11,16H2,1-2H3.
What are the key properties of 1-(5-octoxy-2-pyridinyl)ethanamine?
1-(5-octoxy-2-pyridinyl)ethanamine has a molecular weight of 250.39 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-octoxy-2-pyridinyl)ethanamine is sourced from PubChem (CID 83124085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).