5-octoxypyridin-3-amine

C13H22N2O — CID 104536057

IUPAC5-octoxypyridin-3-amine
SMILESCCCCCCCCOc1cncc(N)c1
InChIInChI=1S/C13H22N2O/c1-2-3-4-5-6-7-8-16-13-9-12(14)10-15-11-13/h9-11H,2-8,14H2,1H3
InChIKeyXGGJAJJEKHEJHY-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.40
Rot. Bonds8

About 5-octoxypyridin-3-amine

5-octoxypyridin-3-amine (PubChem CID 104536057) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-octoxypyridin-3-amine.

Molecular Properties

Compound Name5-octoxypyridin-3-amine
PubChem CID104536057
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name5-octoxypyridin-3-amine
SMILESCCCCCCCCOc1cncc(N)c1
InChIInChI=1S/C13H22N2O/c1-2-3-4-5-6-7-8-16-13-9-12(14)10-15-11-13/h9-11H,2-8,14H2,1H3
InChIKeyXGGJAJJEKHEJHY-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

N-ethyl-5-octoxypyridin-3-amine
CID 113424296
5-(4,4,4-trifluorobutoxy)pyridin-3-amine
CID 104536992
5-hexoxypyridine-3-carboxylic acid
CID 63850317
5-(methoxymethoxy)pyridin-3-amine
CID 174724923
3-bromo-5-octoxyaniline
CID 103588114
5-(2-propoxyphenoxy)pyridin-3-amine
CID 113424320
3-octadecoxypyridine
CID 175800212
4-heptoxybenzene-1,2-diamine
CID 54795786
2-octoxypyrimidin-5-amine
CID 61145971
5-octoxypyridin-2-amine
CID 43126983
5-bromo-6-heptoxypyridin-3-amine
CID 79535566
4,5-dioctoxybenzene-1,2-diamine;dihydrochloride
CID 71614381

Frequently Asked Questions

What is the IUPAC name of 5-octoxypyridin-3-amine?
The IUPAC name of 5-octoxypyridin-3-amine (CID 104536057) is 5-octoxypyridin-3-amine.
What is the SMILES notation for 5-octoxypyridin-3-amine?
The canonical SMILES for 5-octoxypyridin-3-amine is CCCCCCCCOc1cncc(N)c1.
What is the InChIKey of 5-octoxypyridin-3-amine?
The InChIKey is XGGJAJJEKHEJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-3-4-5-6-7-8-16-13-9-12(14)10-15-11-13/h9-11H,2-8,14H2,1H3.
What are the key properties of 5-octoxypyridin-3-amine?
5-octoxypyridin-3-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-3-amine is sourced from PubChem (CID 104536057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).