[[(2Z)-2-(4-ethylpiperazin-1-yl)penta-2,4-dienylidene]amino]methanamine

C12H22N4 — CID 131730710

IUPAC[[(2Z)-2-(4-ethylpiperazin-1-yl)penta-2,4-dienylidene]amino]methanamine
SMILESC=C/C=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/b12-5-,14-10?
InChIKeyUFZBXAJNQHMCOT-HBBPARRDSA-N
MW222.34 g/mol
LogP0.68
Rot. Bonds5

About [[(2Z)-2-(4-ethylpiperazin-1-yl)penta-2,4-dienylidene]amino]methanamine

[[(2Z)-2-(4-ethylpiperazin-1-yl)penta-2,4-dienylidene]amino]methanamine (PubChem CID 131730710) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is [[(2Z)-2-(4-ethylpiperazin-1-yl)penta-2,4-dienylidene]amino]methanamine.

Molecular Properties

Compound Name[[(2Z)-2-(4-ethylpiperazin-1-yl)penta-2,4-dienylidene]amino]methanamine
PubChem CID131730710
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name[[(2Z)-2-(4-ethylpiperazin-1-yl)penta-2,4-dienylidene]amino]methanamine
SMILESC=C/C=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/b12-5-,14-10?
InChIKeyUFZBXAJNQHMCOT-HBBPARRDSA-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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Frequently Asked Questions

What is the IUPAC name of [[(2Z)-2-(4-ethylpiperazin-1-yl)penta-2,4-dienylidene]amino]methanamine?
The IUPAC name of [[(2Z)-2-(4-ethylpiperazin-1-yl)penta-2,4-dienylidene]amino]methanamine (CID 131730710) is [[(2Z)-2-(4-ethylpiperazin-1-yl)penta-2,4-dienylidene]amino]methanamine.
What is the SMILES notation for [[(2Z)-2-(4-ethylpiperazin-1-yl)penta-2,4-dienylidene]amino]methanamine?
The canonical SMILES for [[(2Z)-2-(4-ethylpiperazin-1-yl)penta-2,4-dienylidene]amino]methanamine is C=C/C=C(/C=NCN)N1CCN(CC)CC1.
What is the InChIKey of [[(2Z)-2-(4-ethylpiperazin-1-yl)penta-2,4-dienylidene]amino]methanamine?
The InChIKey is UFZBXAJNQHMCOT-HBBPARRDSA-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/b12-5-,14-10?.
What are the key properties of [[(2Z)-2-(4-ethylpiperazin-1-yl)penta-2,4-dienylidene]amino]methanamine?
[[(2Z)-2-(4-ethylpiperazin-1-yl)penta-2,4-dienylidene]amino]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 [[(2Z)-2-(4-ethylpiperazin-1-yl)penta-2,4-dienylidene]amino]methanamine is sourced from PubChem (CID 131730710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).