(E)-4-diazenyl-N-ethenyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine

C12H20N4 — CID 123576915

IUPAC(E)-4-diazenyl-N-ethenyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine
SMILES[H]/N=N/C/C(C)=C/C(=N\C=C)N1CCCCC1
InChIInChI=1S/C12H20N4/c1-3-14-12(9-11(2)10-15-13)16-7-5-4-6-8-16/h3,9,13H,1,4-8,10H2,2H3/b11-9+,14-12+,15-13+
InChIKeyJTUJLWDDKCLDJF-NLCRFJRRSA-N
MW220.32 g/mol
LogP2.99
Rot. Bonds4

About (E)-4-diazenyl-N-ethenyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine

(E)-4-diazenyl-N-ethenyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine (PubChem CID 123576915) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is (E)-4-diazenyl-N-ethenyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-4-diazenyl-N-ethenyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine
PubChem CID123576915
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name(E)-4-diazenyl-N-ethenyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine
SMILES[H]/N=N/C/C(C)=C/C(=N\C=C)N1CCCCC1
InChIInChI=1S/C12H20N4/c1-3-14-12(9-11(2)10-15-13)16-7-5-4-6-8-16/h3,9,13H,1,4-8,10H2,2H3/b11-9+,14-12+,15-13+
InChIKeyJTUJLWDDKCLDJF-NLCRFJRRSA-N
XLogP2.99
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-diazenyl-N-ethenyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine?
The IUPAC name of (E)-4-diazenyl-N-ethenyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine (CID 123576915) is (E)-4-diazenyl-N-ethenyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine.
What is the SMILES notation for (E)-4-diazenyl-N-ethenyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine?
The canonical SMILES for (E)-4-diazenyl-N-ethenyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine is [H]/N=N/C/C(C)=C/C(=N\C=C)N1CCCCC1.
What is the InChIKey of (E)-4-diazenyl-N-ethenyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine?
The InChIKey is JTUJLWDDKCLDJF-NLCRFJRRSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-14-12(9-11(2)10-15-13)16-7-5-4-6-8-16/h3,9,13H,1,4-8,10H2,2H3/b11-9+,14-12+,15-13+.
What are the key properties of (E)-4-diazenyl-N-ethenyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine?
(E)-4-diazenyl-N-ethenyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine has a molecular weight of 220.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-diazenyl-N-ethenyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine is sourced from PubChem (CID 123576915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).