5-octoxypyridin-2-amine

C13H22N2O — CID 43126983

IUPAC5-octoxypyridin-2-amine
SMILESCCCCCCCCOc1ccc(N)nc1
InChIInChI=1S/C13H22N2O/c1-2-3-4-5-6-7-10-16-12-8-9-13(14)15-11-12/h8-9,11H,2-7,10H2,1H3,(H2,14,15)
InChIKeyRAEDXLVIBUWMJS-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.40
Rot. Bonds8

About 5-octoxypyridin-2-amine

5-octoxypyridin-2-amine (PubChem CID 43126983) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-octoxypyridin-2-amine.

Molecular Properties

Compound Name5-octoxypyridin-2-amine
PubChem CID43126983
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name5-octoxypyridin-2-amine
SMILESCCCCCCCCOc1ccc(N)nc1
InChIInChI=1S/C13H22N2O/c1-2-3-4-5-6-7-10-16-12-8-9-13(14)15-11-12/h8-9,11H,2-7,10H2,1H3,(H2,14,15)
InChIKeyRAEDXLVIBUWMJS-UHFFFAOYSA-N
XLogP3.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.40
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

2-(bromomethyl)-5-octoxypyridine
CID 79799471
2-(bromomethyl)-5-decoxypyridine
CID 79799851
2-fluoro-5-hexoxypyridine
CID 115371648
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
(5-butoxy-2-pyridinyl)methanamine
CID 79787452
1-(5-hexoxy-2-pyridinyl)propan-2-amine
CID 79800440
1-(5-decoxy-2-pyridinyl)propan-2-amine
CID 79790628
5-hexan-2-yloxypyridin-2-amine
CID 169188351
5-[3-[ethyl(methyl)amino]propoxy]pyridin-2-amine
CID 167126121
1-(5-octoxy-2-pyridinyl)ethanamine
CID 83124085
1,4-dipentoxybenzene
CID 18314717

Frequently Asked Questions

What is the IUPAC name of 5-octoxypyridin-2-amine?
The IUPAC name of 5-octoxypyridin-2-amine (CID 43126983) is 5-octoxypyridin-2-amine.
What is the SMILES notation for 5-octoxypyridin-2-amine?
The canonical SMILES for 5-octoxypyridin-2-amine is CCCCCCCCOc1ccc(N)nc1.
What is the InChIKey of 5-octoxypyridin-2-amine?
The InChIKey is RAEDXLVIBUWMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-3-4-5-6-7-10-16-12-8-9-13(14)15-11-12/h8-9,11H,2-7,10H2,1H3,(H2,14,15).
What are the key properties of 5-octoxypyridin-2-amine?
5-octoxypyridin-2-amine has a molecular weight of 222.33 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octoxypyridin-2-amine is sourced from PubChem (CID 43126983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).