[2-(4-ethylpiperazin-1-yl)penta-2,4-dienylideneamino]methanamine

C12H22N4 — CID 123807778

IUPAC[2-(4-ethylpiperazin-1-yl)penta-2,4-dienylideneamino]methanamine
SMILESC=CC=C(C=NCN)N1CCN(CC)CC1
InChIInChI=1S/C12H22N4/c1-3-5-12(10-14-11-13)16-8-6-15(4-2)7-9-16/h3,5,10H,1,4,6-9,11,13H2,2H3
InChIKeyUFZBXAJNQHMCOT-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.68
Rot. Bonds5

About [2-(4-ethylpiperazin-1-yl)penta-2,4-dienylideneamino]methanamine

[2-(4-ethylpiperazin-1-yl)penta-2,4-dienylideneamino]methanamine (PubChem CID 123807778) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is [2-(4-ethylpiperazin-1-yl)penta-2,4-dienylideneamino]methanamine.

Molecular Properties

Compound Name[2-(4-ethylpiperazin-1-yl)penta-2,4-dienylideneamino]methanamine
PubChem CID123807778
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name[2-(4-ethylpiperazin-1-yl)penta-2,4-dienylideneamino]methanamine
SMILESC=CC=C(C=NCN)N1CCN(CC)CC1
InChIInChI=1S/C12H22N4/c1-3-5-12(10-14-11-13)16-8-6-15(4-2)7-9-16/h3,5,10H,1,4,6-9,11,13H2,2H3
InChIKeyUFZBXAJNQHMCOT-UHFFFAOYSA-N
XLogP0.68
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E)-N-methyl-3-piperazin-1-ylpenta-2,4-dien-1-imine
CID 117943486
N-ethyl-2-piperazin-1-ylbut-2-en-1-imine
CID 124033166
N-[(E)-2-(4-ethyl-piperazin-1-yl)-penta-2,4-dien-(Z)-ylidene]-methanediamine
CID 131730710
(E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine
CID 134405853
(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine
CID 134406060
N-[(2Z,4E)-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine
CID 134406298
(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine
CID 134406633
(2E,4E)-N-methyl-2-piperazin-1-ylhexa-2,4-dien-1-imine
CID 134406692
N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylprop-2-en-1-imine
CID 134406734
[(E)-[(2Z)-2-(4-ethylpiperazin-1-yl)penta-2,4-dienylidene]amino]methanamine
CID 141625002
2-[[(Z)-but-2-enylidene]amino]-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine
CID 141974163
(2Z)-2-(ethylideneamino)-N-(2-piperazin-1-ylethyl)penta-2,4-dien-1-amine
CID 142137280

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylpiperazin-1-yl)penta-2,4-dienylideneamino]methanamine?
The IUPAC name of [2-(4-ethylpiperazin-1-yl)penta-2,4-dienylideneamino]methanamine (CID 123807778) is [2-(4-ethylpiperazin-1-yl)penta-2,4-dienylideneamino]methanamine.
What is the SMILES notation for [2-(4-ethylpiperazin-1-yl)penta-2,4-dienylideneamino]methanamine?
The canonical SMILES for [2-(4-ethylpiperazin-1-yl)penta-2,4-dienylideneamino]methanamine is C=CC=C(C=NCN)N1CCN(CC)CC1.
What is the InChIKey of [2-(4-ethylpiperazin-1-yl)penta-2,4-dienylideneamino]methanamine?
The InChIKey is UFZBXAJNQHMCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-5-12(10-14-11-13)16-8-6-15(4-2)7-9-16/h3,5,10H,1,4,6-9,11,13H2,2H3.
What are the key properties of [2-(4-ethylpiperazin-1-yl)penta-2,4-dienylideneamino]methanamine?
[2-(4-ethylpiperazin-1-yl)penta-2,4-dienylideneamino]methanamine has a molecular weight of 222.34 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylpiperazin-1-yl)penta-2,4-dienylideneamino]methanamine is sourced from PubChem (CID 123807778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).