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

C8H14N2 — CID 57044964

IUPAC5-ethyl-1-methyl-2,4-dihydropyridin-3-imine
SMILES[H]/N=C1/CC(CC)=CN(C)C1
InChIInChI=1S/C8H14N2/c1-3-7-4-8(9)6-10(2)5-7/h5,9H,3-4,6H2,1-2H3/b9-8-
InChIKeyBPIDKXGDNMGRQS-HJWRWDBZSA-N
MW138.21 g/mol
LogP1.64
Rot. Bonds1

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

5-ethyl-1-methyl-2,4-dihydropyridin-3-imine (PubChem CID 57044964) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-ethyl-1-methyl-2,4-dihydropyridin-3-imine.

Molecular Properties

Compound Name5-ethyl-1-methyl-2,4-dihydropyridin-3-imine
PubChem CID57044964
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name5-ethyl-1-methyl-2,4-dihydropyridin-3-imine
SMILES[H]/N=C1/CC(CC)=CN(C)C1
InChIInChI=1S/C8H14N2/c1-3-7-4-8(9)6-10(2)5-7/h5,9H,3-4,6H2,1-2H3/b9-8-
InChIKeyBPIDKXGDNMGRQS-HJWRWDBZSA-N
XLogP1.64
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-2,4-dihydropyridin-3-imine?
The IUPAC name of 5-ethyl-1-methyl-2,4-dihydropyridin-3-imine (CID 57044964) is 5-ethyl-1-methyl-2,4-dihydropyridin-3-imine.
What is the SMILES notation for 5-ethyl-1-methyl-2,4-dihydropyridin-3-imine?
The canonical SMILES for 5-ethyl-1-methyl-2,4-dihydropyridin-3-imine is [H]/N=C1/CC(CC)=CN(C)C1.
What is the InChIKey of 5-ethyl-1-methyl-2,4-dihydropyridin-3-imine?
The InChIKey is BPIDKXGDNMGRQS-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-7-4-8(9)6-10(2)5-7/h5,9H,3-4,6H2,1-2H3/b9-8-.
What are the key properties of 5-ethyl-1-methyl-2,4-dihydropyridin-3-imine?
5-ethyl-1-methyl-2,4-dihydropyridin-3-imine has a molecular weight of 138.21 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-2,4-dihydropyridin-3-imine is sourced from PubChem (CID 57044964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).