1-(3,4-dihydropyridin-3-yl)ethanimine

C7H10N2 — CID 146399943

IUPAC1-(3,4-dihydropyridin-3-yl)ethanimine
SMILES[H]/N=C(\C)C1C=NC=CC1
InChIInChI=1S/C7H10N2/c1-6(8)7-3-2-4-9-5-7/h2,4-5,7-8H,3H2,1H3/b8-6+
InChIKeyCJPACECEUVDJSJ-SOFGYWHQSA-N
MW122.17 g/mol
LogP1.63
Rot. Bonds1

About 1-(3,4-dihydropyridin-3-yl)ethanimine

1-(3,4-dihydropyridin-3-yl)ethanimine (PubChem CID 146399943) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-(3,4-dihydropyridin-3-yl)ethanimine.

Molecular Properties

Compound Name1-(3,4-dihydropyridin-3-yl)ethanimine
PubChem CID146399943
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1-(3,4-dihydropyridin-3-yl)ethanimine
SMILES[H]/N=C(\C)C1C=NC=CC1
InChIInChI=1S/C7H10N2/c1-6(8)7-3-2-4-9-5-7/h2,4-5,7-8H,3H2,1H3/b8-6+
InChIKeyCJPACECEUVDJSJ-SOFGYWHQSA-N
XLogP1.63
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(3,4-dihydropyridin-3-yl)ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydropyridin-3-yl)ethanimine?
The IUPAC name of 1-(3,4-dihydropyridin-3-yl)ethanimine (CID 146399943) is 1-(3,4-dihydropyridin-3-yl)ethanimine.
What is the SMILES notation for 1-(3,4-dihydropyridin-3-yl)ethanimine?
The canonical SMILES for 1-(3,4-dihydropyridin-3-yl)ethanimine is [H]/N=C(\C)C1C=NC=CC1.
What is the InChIKey of 1-(3,4-dihydropyridin-3-yl)ethanimine?
The InChIKey is CJPACECEUVDJSJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H10N2/c1-6(8)7-3-2-4-9-5-7/h2,4-5,7-8H,3H2,1H3/b8-6+.
What are the key properties of 1-(3,4-dihydropyridin-3-yl)ethanimine?
1-(3,4-dihydropyridin-3-yl)ethanimine has a molecular weight of 122.17 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydropyridin-3-yl)ethanimine is sourced from PubChem (CID 146399943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).