4-hexoxypyridin-3-amine

C11H18N2O — CID 28994953

IUPAC4-hexoxypyridin-3-amine
SMILESCCCCCCOc1ccncc1N
InChIInChI=1S/C11H18N2O/c1-2-3-4-5-8-14-11-6-7-13-9-10(11)12/h6-7,9H,2-5,8,12H2,1H3
InChIKeyLUZXANROYFOAET-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.62
Rot. Bonds6

About 4-hexoxypyridin-3-amine

4-hexoxypyridin-3-amine (PubChem CID 28994953) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-hexoxypyridin-3-amine.

Molecular Properties

Compound Name4-hexoxypyridin-3-amine
PubChem CID28994953
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-hexoxypyridin-3-amine
SMILESCCCCCCOc1ccncc1N
InChIInChI=1S/C11H18N2O/c1-2-3-4-5-8-14-11-6-7-13-9-10(11)12/h6-7,9H,2-5,8,12H2,1H3
InChIKeyLUZXANROYFOAET-UHFFFAOYSA-N
XLogP2.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.62
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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Frequently Asked Questions

What is the IUPAC name of 4-hexoxypyridin-3-amine?
The IUPAC name of 4-hexoxypyridin-3-amine (CID 28994953) is 4-hexoxypyridin-3-amine.
What is the SMILES notation for 4-hexoxypyridin-3-amine?
The canonical SMILES for 4-hexoxypyridin-3-amine is CCCCCCOc1ccncc1N.
What is the InChIKey of 4-hexoxypyridin-3-amine?
The InChIKey is LUZXANROYFOAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-3-4-5-8-14-11-6-7-13-9-10(11)12/h6-7,9H,2-5,8,12H2,1H3.
What are the key properties of 4-hexoxypyridin-3-amine?
4-hexoxypyridin-3-amine has a molecular weight of 194.28 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxypyridin-3-amine is sourced from PubChem (CID 28994953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).