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

C9H16N2 — CID 56635574

IUPAC1,5-diethyl-2,4-dihydropyridin-3-imine
SMILES[H]/N=C1\CC(CC)=CN(CC)C1
InChIInChI=1S/C9H16N2/c1-3-8-5-9(10)7-11(4-2)6-8/h6,10H,3-5,7H2,1-2H3/b10-9+
InChIKeyNJIUZNMKTILWLJ-MDZDMXLPSA-N
MW152.24 g/mol
LogP2.03
Rot. Bonds2

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

1,5-diethyl-2,4-dihydropyridin-3-imine (PubChem CID 56635574) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,5-diethyl-2,4-dihydropyridin-3-imine.

Molecular Properties

Compound Name1,5-diethyl-2,4-dihydropyridin-3-imine
PubChem CID56635574
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1,5-diethyl-2,4-dihydropyridin-3-imine
SMILES[H]/N=C1\CC(CC)=CN(CC)C1
InChIInChI=1S/C9H16N2/c1-3-8-5-9(10)7-11(4-2)6-8/h6,10H,3-5,7H2,1-2H3/b10-9+
InChIKeyNJIUZNMKTILWLJ-MDZDMXLPSA-N
XLogP2.03
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.03
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 1,5-diethyl-2,4-dihydropyridin-3-imine?
The IUPAC name of 1,5-diethyl-2,4-dihydropyridin-3-imine (CID 56635574) is 1,5-diethyl-2,4-dihydropyridin-3-imine.
What is the SMILES notation for 1,5-diethyl-2,4-dihydropyridin-3-imine?
The canonical SMILES for 1,5-diethyl-2,4-dihydropyridin-3-imine is [H]/N=C1\CC(CC)=CN(CC)C1.
What is the InChIKey of 1,5-diethyl-2,4-dihydropyridin-3-imine?
The InChIKey is NJIUZNMKTILWLJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-8-5-9(10)7-11(4-2)6-8/h6,10H,3-5,7H2,1-2H3/b10-9+.
What are the key properties of 1,5-diethyl-2,4-dihydropyridin-3-imine?
1,5-diethyl-2,4-dihydropyridin-3-imine has a molecular weight of 152.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-2,4-dihydropyridin-3-imine is sourced from PubChem (CID 56635574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).