(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine

C10H19N3 — CID 144622100

IUPAC(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine
SMILESC/C=C(\C=N\CC)N1CCNCC1
InChIInChI=1S/C10H19N3/c1-3-10(9-11-4-2)13-7-5-12-6-8-13/h3,9,12H,4-8H2,1-2H3/b10-3+,11-9+
InChIKeyKEMVTXRAZHYTBT-LHLSIBMCSA-N
MW181.28 g/mol
LogP0.89
Rot. Bonds3

About (E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine

(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine (PubChem CID 144622100) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine
PubChem CID144622100
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine
SMILESC/C=C(\C=N\CC)N1CCNCC1
InChIInChI=1S/C10H19N3/c1-3-10(9-11-4-2)13-7-5-12-6-8-13/h3,9,12H,4-8H2,1-2H3/b10-3+,11-9+
InChIKeyKEMVTXRAZHYTBT-LHLSIBMCSA-N
XLogP0.89
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine?
The IUPAC name of (E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine (CID 144622100) is (E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine.
What is the SMILES notation for (E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine?
The canonical SMILES for (E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine is C/C=C(\C=N\CC)N1CCNCC1.
What is the InChIKey of (E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine?
The InChIKey is KEMVTXRAZHYTBT-LHLSIBMCSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-10(9-11-4-2)13-7-5-12-6-8-13/h3,9,12H,4-8H2,1-2H3/b10-3+,11-9+.
What are the key properties of (E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine?
(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine has a molecular weight of 181.28 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine is sourced from PubChem (CID 144622100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).