N,1-dimethyl-2,3-dihydropyridin-4-imine

C7H12N2 — CID 56625157

IUPACN,1-dimethyl-2,3-dihydropyridin-4-imine
SMILESC/N=C1\C=CN(C)CC1
InChIInChI=1S/C7H12N2/c1-8-7-3-5-9(2)6-4-7/h3,5H,4,6H2,1-2H3/b8-7+
InChIKeyDDJFOPZBZIPDLU-BQYQJAHWSA-N
MW124.19 g/mol
LogP0.91
Rot. Bonds

About N,1-dimethyl-2,3-dihydropyridin-4-imine

N,1-dimethyl-2,3-dihydropyridin-4-imine (PubChem CID 56625157) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N,1-dimethyl-2,3-dihydropyridin-4-imine.

Molecular Properties

Compound NameN,1-dimethyl-2,3-dihydropyridin-4-imine
PubChem CID56625157
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN,1-dimethyl-2,3-dihydropyridin-4-imine
SMILESC/N=C1\C=CN(C)CC1
InChIInChI=1S/C7H12N2/c1-8-7-3-5-9(2)6-4-7/h3,5H,4,6H2,1-2H3/b8-7+
InChIKeyDDJFOPZBZIPDLU-BQYQJAHWSA-N
XLogP0.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,1-dimethyl-2,3-dihydropyridin-4-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 N,1-dimethyl-2,3-dihydropyridin-4-imine?
The IUPAC name of N,1-dimethyl-2,3-dihydropyridin-4-imine (CID 56625157) is N,1-dimethyl-2,3-dihydropyridin-4-imine.
What is the SMILES notation for N,1-dimethyl-2,3-dihydropyridin-4-imine?
The canonical SMILES for N,1-dimethyl-2,3-dihydropyridin-4-imine is C/N=C1\C=CN(C)CC1.
What is the InChIKey of N,1-dimethyl-2,3-dihydropyridin-4-imine?
The InChIKey is DDJFOPZBZIPDLU-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H12N2/c1-8-7-3-5-9(2)6-4-7/h3,5H,4,6H2,1-2H3/b8-7+.
What are the key properties of N,1-dimethyl-2,3-dihydropyridin-4-imine?
N,1-dimethyl-2,3-dihydropyridin-4-imine has a molecular weight of 124.19 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-2,3-dihydropyridin-4-imine is sourced from PubChem (CID 56625157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).