N-ethyl-1-(4-ethyl-5-methyl-3,4-dihydropyridin-6-yl)methanimine

C11H18N2 — CID 123384655

IUPACN-ethyl-1-(4-ethyl-5-methyl-3,4-dihydropyridin-6-yl)methanimine
SMILESCC/N=C/C1=C(C)C(CC)CC=N1
InChIInChI=1S/C11H18N2/c1-4-10-6-7-13-11(9(10)3)8-12-5-2/h7-8,10H,4-6H2,1-3H3/b12-8+
InChIKeyNMGKEIQZHVXWSC-XYOKQWHBSA-N
MW178.28 g/mol
LogP2.85
Rot. Bonds3

About N-ethyl-1-(4-ethyl-5-methyl-3,4-dihydropyridin-6-yl)methanimine

N-ethyl-1-(4-ethyl-5-methyl-3,4-dihydropyridin-6-yl)methanimine (PubChem CID 123384655) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-ethyl-1-(4-ethyl-5-methyl-3,4-dihydropyridin-6-yl)methanimine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethyl-5-methyl-3,4-dihydropyridin-6-yl)methanimine
PubChem CID123384655
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-ethyl-1-(4-ethyl-5-methyl-3,4-dihydropyridin-6-yl)methanimine
SMILESCC/N=C/C1=C(C)C(CC)CC=N1
InChIInChI=1S/C11H18N2/c1-4-10-6-7-13-11(9(10)3)8-12-5-2/h7-8,10H,4-6H2,1-3H3/b12-8+
InChIKeyNMGKEIQZHVXWSC-XYOKQWHBSA-N
XLogP2.85
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(4-ethyl-5-methyl-3,4-dihydropyridin-6-yl)methanimine 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

4,5,6-Trimethyl-3,4-dihydropyridine
CID 88976975
5,6-di(propan-2-yl)-2H-1,4-diazepine
CID 58763146
3-ethyl-4-methyl-5-(2-methylpropyl)-3H-pyrrole
CID 59359592
1-(5-methyl-3,4-dihydropyridin-6-yl)-N-prop-1-en-2-ylmethanimine
CID 89748394
2-cyclohexylidene-4-methyl-4,5-dihydro-3H-pyridine
CID 91035762
N-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine
CID 91176798
5-Methyl-6-propan-2-yl-3,4-dihydropyridine
CID 91423818
5-Butan-2-yl-4-methyl-2-propan-2-ylidenepyrimidin-3-ide
CID 91446216
1,4,5,6-Tetramethyl-3,4-dihydropyridin-1-ium
CID 118916334
N-[(1E)-1-(2-methylcyclopentylidene)ethyl]propan-1-imine
CID 123222219
N-methyl-1-(6-methyl-4,5-dihydro-3H-azepin-7-yl)ethanimine
CID 123292891
3-Ethyl-4,5-dimethyl-6-(3-methylbutyl)-3,4-dihydropyridine
CID 123463848

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethyl-5-methyl-3,4-dihydropyridin-6-yl)methanimine?
The IUPAC name of N-ethyl-1-(4-ethyl-5-methyl-3,4-dihydropyridin-6-yl)methanimine (CID 123384655) is N-ethyl-1-(4-ethyl-5-methyl-3,4-dihydropyridin-6-yl)methanimine.
What is the SMILES notation for N-ethyl-1-(4-ethyl-5-methyl-3,4-dihydropyridin-6-yl)methanimine?
The canonical SMILES for N-ethyl-1-(4-ethyl-5-methyl-3,4-dihydropyridin-6-yl)methanimine is CC/N=C/C1=C(C)C(CC)CC=N1.
What is the InChIKey of N-ethyl-1-(4-ethyl-5-methyl-3,4-dihydropyridin-6-yl)methanimine?
The InChIKey is NMGKEIQZHVXWSC-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-10-6-7-13-11(9(10)3)8-12-5-2/h7-8,10H,4-6H2,1-3H3/b12-8+.
What are the key properties of N-ethyl-1-(4-ethyl-5-methyl-3,4-dihydropyridin-6-yl)methanimine?
N-ethyl-1-(4-ethyl-5-methyl-3,4-dihydropyridin-6-yl)methanimine has a molecular weight of 178.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethyl-5-methyl-3,4-dihydropyridin-6-yl)methanimine is sourced from PubChem (CID 123384655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).