2-(prop-2-enylideneamino)-1,4-dihydropyridin-3-amine

C8H11N3 — CID 70611479

IUPAC2-(prop-2-enylideneamino)-1,4-dihydropyridin-3-amine
SMILESC=CC=NC1=C(N)CC=CN1
InChIInChI=1S/C8H11N3/c1-2-5-10-8-7(9)4-3-6-11-8/h2-3,5-6,11H,1,4,9H2
InChIKeyDLSLDZUKGFSJAH-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.88
Rot. Bonds2

About 2-(prop-2-enylideneamino)-1,4-dihydropyridin-3-amine

2-(prop-2-enylideneamino)-1,4-dihydropyridin-3-amine (PubChem CID 70611479) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2-(prop-2-enylideneamino)-1,4-dihydropyridin-3-amine.

Molecular Properties

Compound Name2-(prop-2-enylideneamino)-1,4-dihydropyridin-3-amine
PubChem CID70611479
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2-(prop-2-enylideneamino)-1,4-dihydropyridin-3-amine
SMILESC=CC=NC1=C(N)CC=CN1
InChIInChI=1S/C8H11N3/c1-2-5-10-8-7(9)4-3-6-11-8/h2-3,5-6,11H,1,4,9H2
InChIKeyDLSLDZUKGFSJAH-UHFFFAOYSA-N
XLogP0.88
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(prop-2-enylideneamino)-1,4-dihydropyridin-3-amine 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 2-(prop-2-enylideneamino)-1,4-dihydropyridin-3-amine?
The IUPAC name of 2-(prop-2-enylideneamino)-1,4-dihydropyridin-3-amine (CID 70611479) is 2-(prop-2-enylideneamino)-1,4-dihydropyridin-3-amine.
What is the SMILES notation for 2-(prop-2-enylideneamino)-1,4-dihydropyridin-3-amine?
The canonical SMILES for 2-(prop-2-enylideneamino)-1,4-dihydropyridin-3-amine is C=CC=NC1=C(N)CC=CN1.
What is the InChIKey of 2-(prop-2-enylideneamino)-1,4-dihydropyridin-3-amine?
The InChIKey is DLSLDZUKGFSJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-2-5-10-8-7(9)4-3-6-11-8/h2-3,5-6,11H,1,4,9H2.
What are the key properties of 2-(prop-2-enylideneamino)-1,4-dihydropyridin-3-amine?
2-(prop-2-enylideneamino)-1,4-dihydropyridin-3-amine has a molecular weight of 149.20 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylideneamino)-1,4-dihydropyridin-3-amine is sourced from PubChem (CID 70611479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).