2,3-diethoxy-2H-pyridin-1-amine

C9H16N2O2 — CID 141075559

IUPAC2,3-diethoxy-2H-pyridin-1-amine
SMILESCCOC1=CC=CN(N)C1OCC
InChIInChI=1S/C9H16N2O2/c1-3-12-8-6-5-7-11(10)9(8)13-4-2/h5-7,9H,3-4,10H2,1-2H3
InChIKeyXIFJWRRJRPNDKK-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.97
Rot. Bonds4

About 2,3-diethoxy-2H-pyridin-1-amine

2,3-diethoxy-2H-pyridin-1-amine (PubChem CID 141075559) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2,3-diethoxy-2H-pyridin-1-amine.

Molecular Properties

Compound Name2,3-diethoxy-2H-pyridin-1-amine
PubChem CID141075559
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2,3-diethoxy-2H-pyridin-1-amine
SMILESCCOC1=CC=CN(N)C1OCC
InChIInChI=1S/C9H16N2O2/c1-3-12-8-6-5-7-11(10)9(8)13-4-2/h5-7,9H,3-4,10H2,1-2H3
InChIKeyXIFJWRRJRPNDKK-UHFFFAOYSA-N
XLogP0.97
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethoxy-2H-pyridin-1-amine?
The IUPAC name of 2,3-diethoxy-2H-pyridin-1-amine (CID 141075559) is 2,3-diethoxy-2H-pyridin-1-amine.
What is the SMILES notation for 2,3-diethoxy-2H-pyridin-1-amine?
The canonical SMILES for 2,3-diethoxy-2H-pyridin-1-amine is CCOC1=CC=CN(N)C1OCC.
What is the InChIKey of 2,3-diethoxy-2H-pyridin-1-amine?
The InChIKey is XIFJWRRJRPNDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-12-8-6-5-7-11(10)9(8)13-4-2/h5-7,9H,3-4,10H2,1-2H3.
What are the key properties of 2,3-diethoxy-2H-pyridin-1-amine?
2,3-diethoxy-2H-pyridin-1-amine has a molecular weight of 184.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethoxy-2H-pyridin-1-amine is sourced from PubChem (CID 141075559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).