(E)-N-ethenyl-3-piperazin-1-ylbut-2-en-1-imine

C10H17N3 — CID 143645213

IUPAC(E)-N-ethenyl-3-piperazin-1-ylbut-2-en-1-imine
SMILESC=C/N=C/C=C(\C)N1CCNCC1
InChIInChI=1S/C10H17N3/c1-3-11-5-4-10(2)13-8-6-12-7-9-13/h3-5,12H,1,6-9H2,2H3/b10-4+,11-5+
InChIKeyFELXCYHJVGOSBX-ZVSIBQGLSA-N
MW179.27 g/mol
LogP1.01
Rot. Bonds3

About (E)-N-ethenyl-3-piperazin-1-ylbut-2-en-1-imine

(E)-N-ethenyl-3-piperazin-1-ylbut-2-en-1-imine (PubChem CID 143645213) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (E)-N-ethenyl-3-piperazin-1-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-ethenyl-3-piperazin-1-ylbut-2-en-1-imine
PubChem CID143645213
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(E)-N-ethenyl-3-piperazin-1-ylbut-2-en-1-imine
SMILESC=C/N=C/C=C(\C)N1CCNCC1
InChIInChI=1S/C10H17N3/c1-3-11-5-4-10(2)13-8-6-12-7-9-13/h3-5,12H,1,6-9H2,2H3/b10-4+,11-5+
InChIKeyFELXCYHJVGOSBX-ZVSIBQGLSA-N
XLogP1.01
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[3-(4-methylpiperazin-1-yl)but-1-en-2-ylimino]prop-1-en-1-amine
CID 68396661
(Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine
CID 70259653
N-[(E)-2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]prop-1-enyl]but-3-en-2-imine
CID 88944973
(2E)-N-methyl-3-piperazin-1-ylpenta-2,4-dien-1-imine
CID 117943486
3-(4-Ethylpiperazin-1-yl)but-2-en-1-imine
CID 123604001
2-Piperazin-1-ylbut-2-en-1-imine
CID 123781310
(Z)-N-[(E)-1-(2-methylpiperazin-1-yl)prop-1-en-2-yl]pent-2-en-1-imine
CID 123800549
[2-(4-Ethylpiperazin-1-yl)penta-2,4-dienylideneamino]methanamine
CID 123807778
N-ethyl-2-piperazin-1-ylbut-2-en-1-imine
CID 124033166
N-[(Z)-(4-methylpiperazin-2-ylidene)methyl]ethanimine
CID 126687721
N-[(E)-2-(4-ethyl-piperazin-1-yl)-penta-2,4-dien-(Z)-ylidene]-methanediamine
CID 131730710
N-[(1Z,3E)-3-piperazin-1-ylpenta-1,3-dienyl]methanimine
CID 132151580

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethenyl-3-piperazin-1-ylbut-2-en-1-imine?
The IUPAC name of (E)-N-ethenyl-3-piperazin-1-ylbut-2-en-1-imine (CID 143645213) is (E)-N-ethenyl-3-piperazin-1-ylbut-2-en-1-imine.
What is the SMILES notation for (E)-N-ethenyl-3-piperazin-1-ylbut-2-en-1-imine?
The canonical SMILES for (E)-N-ethenyl-3-piperazin-1-ylbut-2-en-1-imine is C=C/N=C/C=C(\C)N1CCNCC1.
What is the InChIKey of (E)-N-ethenyl-3-piperazin-1-ylbut-2-en-1-imine?
The InChIKey is FELXCYHJVGOSBX-ZVSIBQGLSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-11-5-4-10(2)13-8-6-12-7-9-13/h3-5,12H,1,6-9H2,2H3/b10-4+,11-5+.
What are the key properties of (E)-N-ethenyl-3-piperazin-1-ylbut-2-en-1-imine?
(E)-N-ethenyl-3-piperazin-1-ylbut-2-en-1-imine has a molecular weight of 179.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-3-piperazin-1-ylbut-2-en-1-imine is sourced from PubChem (CID 143645213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).