N-ethyl-1-methyl-2,5-dihydropyridin-6-imine

C8H14N2 — CID 56614380

IUPACN-ethyl-1-methyl-2,5-dihydropyridin-6-imine
SMILESCC/N=C1\CC=CCN1C
InChIInChI=1S/C8H14N2/c1-3-9-8-6-4-5-7-10(8)2/h4-5H,3,6-7H2,1-2H3/b9-8+
InChIKeyOWMTZJRAZOLUSJ-CMDGGOBGSA-N
MW138.21 g/mol
LogP1.30
Rot. Bonds1

About N-ethyl-1-methyl-2,5-dihydropyridin-6-imine

N-ethyl-1-methyl-2,5-dihydropyridin-6-imine (PubChem CID 56614380) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-ethyl-1-methyl-2,5-dihydropyridin-6-imine.

Molecular Properties

Compound NameN-ethyl-1-methyl-2,5-dihydropyridin-6-imine
PubChem CID56614380
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-ethyl-1-methyl-2,5-dihydropyridin-6-imine
SMILESCC/N=C1\CC=CCN1C
InChIInChI=1S/C8H14N2/c1-3-9-8-6-4-5-7-10(8)2/h4-5H,3,6-7H2,1-2H3/b9-8+
InChIKeyOWMTZJRAZOLUSJ-CMDGGOBGSA-N
XLogP1.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-2,5-dihydropyridin-6-imine?
The IUPAC name of N-ethyl-1-methyl-2,5-dihydropyridin-6-imine (CID 56614380) is N-ethyl-1-methyl-2,5-dihydropyridin-6-imine.
What is the SMILES notation for N-ethyl-1-methyl-2,5-dihydropyridin-6-imine?
The canonical SMILES for N-ethyl-1-methyl-2,5-dihydropyridin-6-imine is CC/N=C1\CC=CCN1C.
What is the InChIKey of N-ethyl-1-methyl-2,5-dihydropyridin-6-imine?
The InChIKey is OWMTZJRAZOLUSJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-9-8-6-4-5-7-10(8)2/h4-5H,3,6-7H2,1-2H3/b9-8+.
What are the key properties of N-ethyl-1-methyl-2,5-dihydropyridin-6-imine?
N-ethyl-1-methyl-2,5-dihydropyridin-6-imine has a molecular weight of 138.21 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-2,5-dihydropyridin-6-imine is sourced from PubChem (CID 56614380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).