6-(2-propan-2-yloxyethoxy)-2-propoxypyridin-3-amine

C13H22N2O3 — CID 43262302

IUPAC6-(2-propan-2-yloxyethoxy)-2-propoxypyridin-3-amine
SMILESCCCOc1nc(OCCOC(C)C)ccc1N
InChIInChI=1S/C13H22N2O3/c1-4-7-18-13-11(14)5-6-12(15-13)17-9-8-16-10(2)3/h5-6,10H,4,7-9,14H2,1-3H3
InChIKeyIPLHUQOAZKEONN-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.26
Rot. Bonds8

About 6-(2-propan-2-yloxyethoxy)-2-propoxypyridin-3-amine

6-(2-propan-2-yloxyethoxy)-2-propoxypyridin-3-amine (PubChem CID 43262302) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-(2-propan-2-yloxyethoxy)-2-propoxypyridin-3-amine.

Molecular Properties

Compound Name6-(2-propan-2-yloxyethoxy)-2-propoxypyridin-3-amine
PubChem CID43262302
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name6-(2-propan-2-yloxyethoxy)-2-propoxypyridin-3-amine
SMILESCCCOc1nc(OCCOC(C)C)ccc1N
InChIInChI=1S/C13H22N2O3/c1-4-7-18-13-11(14)5-6-12(15-13)17-9-8-16-10(2)3/h5-6,10H,4,7-9,14H2,1-3H3
InChIKeyIPLHUQOAZKEONN-UHFFFAOYSA-N
XLogP2.26
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-propan-2-yloxyethoxy)-2-propoxypyridin-3-amine?
The IUPAC name of 6-(2-propan-2-yloxyethoxy)-2-propoxypyridin-3-amine (CID 43262302) is 6-(2-propan-2-yloxyethoxy)-2-propoxypyridin-3-amine.
What is the SMILES notation for 6-(2-propan-2-yloxyethoxy)-2-propoxypyridin-3-amine?
The canonical SMILES for 6-(2-propan-2-yloxyethoxy)-2-propoxypyridin-3-amine is CCCOc1nc(OCCOC(C)C)ccc1N.
What is the InChIKey of 6-(2-propan-2-yloxyethoxy)-2-propoxypyridin-3-amine?
The InChIKey is IPLHUQOAZKEONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-4-7-18-13-11(14)5-6-12(15-13)17-9-8-16-10(2)3/h5-6,10H,4,7-9,14H2,1-3H3.
What are the key properties of 6-(2-propan-2-yloxyethoxy)-2-propoxypyridin-3-amine?
6-(2-propan-2-yloxyethoxy)-2-propoxypyridin-3-amine has a molecular weight of 254.33 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propan-2-yloxyethoxy)-2-propoxypyridin-3-amine is sourced from PubChem (CID 43262302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).