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

C10H18N2 — CID 56617025

IUPAC1,5-diethyl-N-methyl-2,4-dihydropyridin-3-imine
SMILESCCC1=CN(CC)C/C(=N/C)C1
InChIInChI=1S/C10H18N2/c1-4-9-6-10(11-3)8-12(5-2)7-9/h7H,4-6,8H2,1-3H3/b11-10+
InChIKeyANLQMPAHCYOSJJ-ZHACJKMWSA-N
MW166.27 g/mol
LogP2.08
Rot. Bonds2

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

1,5-diethyl-N-methyl-2,4-dihydropyridin-3-imine (PubChem CID 56617025) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1,5-diethyl-N-methyl-2,4-dihydropyridin-3-imine.

Molecular Properties

Compound Name1,5-diethyl-N-methyl-2,4-dihydropyridin-3-imine
PubChem CID56617025
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1,5-diethyl-N-methyl-2,4-dihydropyridin-3-imine
SMILESCCC1=CN(CC)C/C(=N/C)C1
InChIInChI=1S/C10H18N2/c1-4-9-6-10(11-3)8-12(5-2)7-9/h7H,4-6,8H2,1-3H3/b11-10+
InChIKeyANLQMPAHCYOSJJ-ZHACJKMWSA-N
XLogP2.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
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-N-methyl-2,4-dihydropyridin-3-imine?
The IUPAC name of 1,5-diethyl-N-methyl-2,4-dihydropyridin-3-imine (CID 56617025) is 1,5-diethyl-N-methyl-2,4-dihydropyridin-3-imine.
What is the SMILES notation for 1,5-diethyl-N-methyl-2,4-dihydropyridin-3-imine?
The canonical SMILES for 1,5-diethyl-N-methyl-2,4-dihydropyridin-3-imine is CCC1=CN(CC)C/C(=N/C)C1.
What is the InChIKey of 1,5-diethyl-N-methyl-2,4-dihydropyridin-3-imine?
The InChIKey is ANLQMPAHCYOSJJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-9-6-10(11-3)8-12(5-2)7-9/h7H,4-6,8H2,1-3H3/b11-10+.
What are the key properties of 1,5-diethyl-N-methyl-2,4-dihydropyridin-3-imine?
1,5-diethyl-N-methyl-2,4-dihydropyridin-3-imine has a molecular weight of 166.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-N-methyl-2,4-dihydropyridin-3-imine is sourced from PubChem (CID 56617025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).