2,6-dihydro-1H-pyridin-3-imine

C5H8N2 — CID 29417085

IUPAC2,6-dihydro-1H-pyridin-3-imine
SMILES[H]/N=C1\C=CCNC1
InChIInChI=1S/C5H8N2/c6-5-2-1-3-7-4-5/h1-2,6-7H,3-4H2/b6-5+
InChIKeyBCQRQPGPJFWKNN-AATRIKPKSA-N
MW96.13 g/mol
LogP0.17
Rot. Bonds

About 2,6-dihydro-1H-pyridin-3-imine

2,6-dihydro-1H-pyridin-3-imine (PubChem CID 29417085) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 2,6-dihydro-1H-pyridin-3-imine.

Molecular Properties

Compound Name2,6-dihydro-1H-pyridin-3-imine
PubChem CID29417085
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name2,6-dihydro-1H-pyridin-3-imine
SMILES[H]/N=C1\C=CCNC1
InChIInChI=1S/C5H8N2/c6-5-2-1-3-7-4-5/h1-2,6-7H,3-4H2/b6-5+
InChIKeyBCQRQPGPJFWKNN-AATRIKPKSA-N
XLogP0.17
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-dihydro-1H-pyridin-3-imine 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 2,6-dihydro-1H-pyridin-3-imine?
The IUPAC name of 2,6-dihydro-1H-pyridin-3-imine (CID 29417085) is 2,6-dihydro-1H-pyridin-3-imine.
What is the SMILES notation for 2,6-dihydro-1H-pyridin-3-imine?
The canonical SMILES for 2,6-dihydro-1H-pyridin-3-imine is [H]/N=C1\C=CCNC1.
What is the InChIKey of 2,6-dihydro-1H-pyridin-3-imine?
The InChIKey is BCQRQPGPJFWKNN-AATRIKPKSA-N. The full InChI is InChI=1S/C5H8N2/c6-5-2-1-3-7-4-5/h1-2,6-7H,3-4H2/b6-5+.
What are the key properties of 2,6-dihydro-1H-pyridin-3-imine?
2,6-dihydro-1H-pyridin-3-imine has a molecular weight of 96.13 g/mol, XLogP of 0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydro-1H-pyridin-3-imine is sourced from PubChem (CID 29417085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).