1,5-diethyl-2-methyl-2,4-dihydropyridin-3-imine

C10H18N2 — CID 57091882

IUPAC1,5-diethyl-2-methyl-2,4-dihydropyridin-3-imine
SMILES[H]/N=C1\CC(CC)=CN(CC)C1C
InChIInChI=1S/C10H18N2/c1-4-9-6-10(11)8(3)12(5-2)7-9/h7-8,11H,4-6H2,1-3H3/b11-10+
InChIKeyWCLJPXUHIIISTC-ZHACJKMWSA-N
MW166.27 g/mol
LogP2.41
Rot. Bonds2

About 1,5-diethyl-2-methyl-2,4-dihydropyridin-3-imine

1,5-diethyl-2-methyl-2,4-dihydropyridin-3-imine (PubChem CID 57091882) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1,5-diethyl-2-methyl-2,4-dihydropyridin-3-imine.

Molecular Properties

Compound Name1,5-diethyl-2-methyl-2,4-dihydropyridin-3-imine
PubChem CID57091882
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1,5-diethyl-2-methyl-2,4-dihydropyridin-3-imine
SMILES[H]/N=C1\CC(CC)=CN(CC)C1C
InChIInChI=1S/C10H18N2/c1-4-9-6-10(11)8(3)12(5-2)7-9/h7-8,11H,4-6H2,1-3H3/b11-10+
InChIKeyWCLJPXUHIIISTC-ZHACJKMWSA-N
XLogP2.41
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,5-diethyl-2-methyl-2,4-dihydropyridin-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

Related Compounds

CID 57322744
CID 57322744
CID 56613844
CID 56613844
CID 56614183
CID 56614183
CID 56616930
CID 56616930
CID 56617025
CID 56617025
CID 56618651
CID 56618651
CID 56626073
CID 56626073
CID 56633612
CID 56633612
CID 56635574
CID 56635574
CID 57014228
CID 57014228
CID 57044964
CID 57044964
CID 57052285
CID 57052285

Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-2-methyl-2,4-dihydropyridin-3-imine?
The IUPAC name of 1,5-diethyl-2-methyl-2,4-dihydropyridin-3-imine (CID 57091882) is 1,5-diethyl-2-methyl-2,4-dihydropyridin-3-imine.
What is the SMILES notation for 1,5-diethyl-2-methyl-2,4-dihydropyridin-3-imine?
The canonical SMILES for 1,5-diethyl-2-methyl-2,4-dihydropyridin-3-imine is [H]/N=C1\CC(CC)=CN(CC)C1C.
What is the InChIKey of 1,5-diethyl-2-methyl-2,4-dihydropyridin-3-imine?
The InChIKey is WCLJPXUHIIISTC-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-9-6-10(11)8(3)12(5-2)7-9/h7-8,11H,4-6H2,1-3H3/b11-10+.
What are the key properties of 1,5-diethyl-2-methyl-2,4-dihydropyridin-3-imine?
1,5-diethyl-2-methyl-2,4-dihydropyridin-3-imine has a molecular weight of 166.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-2-methyl-2,4-dihydropyridin-3-imine is sourced from PubChem (CID 57091882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).