6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine

C11H18N2O2 — CID 63590219

IUPAC6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine
SMILESCCOc1cccc(NCCCOC)n1
InChIInChI=1S/C11H18N2O2/c1-3-15-11-7-4-6-10(13-11)12-8-5-9-14-2/h4,6-7H,3,5,8-9H2,1-2H3,(H,12,13)
InChIKeyWGTBKPJWRIQEPZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.93
Rot. Bonds7

About 6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine

6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine (PubChem CID 63590219) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine
PubChem CID63590219
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine
SMILESCCOc1cccc(NCCCOC)n1
InChIInChI=1S/C11H18N2O2/c1-3-15-11-7-4-6-10(13-11)12-8-5-9-14-2/h4,6-7H,3,5,8-9H2,1-2H3,(H,12,13)
InChIKeyWGTBKPJWRIQEPZ-UHFFFAOYSA-N
XLogP1.93
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.93
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 6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine?
The IUPAC name of 6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine (CID 63590219) is 6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine.
What is the SMILES notation for 6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine?
The canonical SMILES for 6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine is CCOc1cccc(NCCCOC)n1.
What is the InChIKey of 6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine?
The InChIKey is WGTBKPJWRIQEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-15-11-7-4-6-10(13-11)12-8-5-9-14-2/h4,6-7H,3,5,8-9H2,1-2H3,(H,12,13).
What are the key properties of 6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine?
6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine has a molecular weight of 210.28 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine is sourced from PubChem (CID 63590219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).