3-[(E)-3-ethoxyprop-1-enyl]pyridin-2-amine

C10H14N2O — CID 89150413

IUPAC3-[(E)-3-ethoxyprop-1-enyl]pyridin-2-amine
SMILESCCOC/C=C/c1cccnc1N
InChIInChI=1S/C10H14N2O/c1-2-13-8-4-6-9-5-3-7-12-10(9)11/h3-7H,2,8H2,1H3,(H2,11,12)/b6-4+
InChIKeyWHESZJXOPTVZPB-GQCTYLIASA-N
MW178.23 g/mol
LogP1.71
Rot. Bonds4

About 3-[(E)-3-ethoxyprop-1-enyl]pyridin-2-amine

3-[(E)-3-ethoxyprop-1-enyl]pyridin-2-amine (PubChem CID 89150413) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-[(E)-3-ethoxyprop-1-enyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(E)-3-ethoxyprop-1-enyl]pyridin-2-amine
PubChem CID89150413
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3-[(E)-3-ethoxyprop-1-enyl]pyridin-2-amine
SMILESCCOC/C=C/c1cccnc1N
InChIInChI=1S/C10H14N2O/c1-2-13-8-4-6-9-5-3-7-12-10(9)11/h3-7H,2,8H2,1H3,(H2,11,12)/b6-4+
InChIKeyWHESZJXOPTVZPB-GQCTYLIASA-N
XLogP1.71
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.71
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 3-[(E)-3-ethoxyprop-1-enyl]pyridin-2-amine?
The IUPAC name of 3-[(E)-3-ethoxyprop-1-enyl]pyridin-2-amine (CID 89150413) is 3-[(E)-3-ethoxyprop-1-enyl]pyridin-2-amine.
What is the SMILES notation for 3-[(E)-3-ethoxyprop-1-enyl]pyridin-2-amine?
The canonical SMILES for 3-[(E)-3-ethoxyprop-1-enyl]pyridin-2-amine is CCOC/C=C/c1cccnc1N.
What is the InChIKey of 3-[(E)-3-ethoxyprop-1-enyl]pyridin-2-amine?
The InChIKey is WHESZJXOPTVZPB-GQCTYLIASA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-13-8-4-6-9-5-3-7-12-10(9)11/h3-7H,2,8H2,1H3,(H2,11,12)/b6-4+.
What are the key properties of 3-[(E)-3-ethoxyprop-1-enyl]pyridin-2-amine?
3-[(E)-3-ethoxyprop-1-enyl]pyridin-2-amine has a molecular weight of 178.23 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-ethoxyprop-1-enyl]pyridin-2-amine is sourced from PubChem (CID 89150413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).