(Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine

C9H16N4 — CID 135135368

IUPAC(Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine
SMILES[H]/N=C/C=C\N=C(/C)N1CCNCC1
InChIInChI=1S/C9H16N4/c1-9(12-4-2-3-10)13-7-5-11-6-8-13/h2-4,10-11H,5-8H2,1H3/b4-2-,10-3+,12-9+
InChIKeyDWFIXBUDZGGBLU-KHTNWJCXSA-N
MW180.26 g/mol
LogP0.47
Rot. Bonds2

About (Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine

(Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine (PubChem CID 135135368) has the molecular formula C9H16N4 and a molecular weight of 180.26 g/mol. Its IUPAC name is (Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine
PubChem CID135135368
Molecular FormulaC9H16N4
Molecular Weight180.26 g/mol
Exact Mass180.14
IUPAC Name(Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine
SMILES[H]/N=C/C=C\N=C(/C)N1CCNCC1
InChIInChI=1S/C9H16N4/c1-9(12-4-2-3-10)13-7-5-11-6-8-13/h2-4,10-11H,5-8H2,1H3/b4-2-,10-3+,12-9+
InChIKeyDWFIXBUDZGGBLU-KHTNWJCXSA-N
XLogP0.47
TPSA51.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine?
The IUPAC name of (Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine (CID 135135368) is (Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine.
What is the SMILES notation for (Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine?
The canonical SMILES for (Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine is [H]/N=C/C=C\N=C(/C)N1CCNCC1.
What is the InChIKey of (Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine?
The InChIKey is DWFIXBUDZGGBLU-KHTNWJCXSA-N. The full InChI is InChI=1S/C9H16N4/c1-9(12-4-2-3-10)13-7-5-11-6-8-13/h2-4,10-11H,5-8H2,1H3/b4-2-,10-3+,12-9+.
What are the key properties of (Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine?
(Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine has a molecular weight of 180.26 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine is sourced from PubChem (CID 135135368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).