N'-[(1E)-2-piperazin-1-ylbuta-1,3-dienyl]ethanimidamide

C10H18N4 — CID 171660727

IUPACN'-[(1E)-2-piperazin-1-ylbuta-1,3-dienyl]ethanimidamide
SMILESC=C/C(=C\N=C(/C)N)N1CCNCC1
InChIInChI=1S/C10H18N4/c1-3-10(8-13-9(2)11)14-6-4-12-5-7-14/h3,8,12H,1,4-7H2,2H3,(H2,11,13)/b10-8+
InChIKeyUAYXADUJSYBPOD-CSKARUKUSA-N
MW194.28 g/mol
LogP0.30
Rot. Bonds3

About N'-[(1E)-2-piperazin-1-ylbuta-1,3-dienyl]ethanimidamide

N'-[(1E)-2-piperazin-1-ylbuta-1,3-dienyl]ethanimidamide (PubChem CID 171660727) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-[(1E)-2-piperazin-1-ylbuta-1,3-dienyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(1E)-2-piperazin-1-ylbuta-1,3-dienyl]ethanimidamide
PubChem CID171660727
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN'-[(1E)-2-piperazin-1-ylbuta-1,3-dienyl]ethanimidamide
SMILESC=C/C(=C\N=C(/C)N)N1CCNCC1
InChIInChI=1S/C10H18N4/c1-3-10(8-13-9(2)11)14-6-4-12-5-7-14/h3,8,12H,1,4-7H2,2H3,(H2,11,13)/b10-8+
InChIKeyUAYXADUJSYBPOD-CSKARUKUSA-N
XLogP0.30
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.30
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-ethenyl-1-piperazin-1-ylbut-2-en-1-imine
CID 67557751
(Z)-2-(1-piperazin-1-ylprop-2-enylideneamino)ethenamine
CID 69914758
1,1-dimethyl-2-[(1Z)-3-(4-methylpiperazin-1-yl)buta-1,3-dienyl]guanidine
CID 88308750
N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine
CID 89117793
(Z)-4-ethenylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
CID 89881701
(Z)-3-amino-N'-[2-(dimethylamino)ethyl]-N-ethenylbut-2-enimidamide
CID 89881702
5-Piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine
CID 123260475
2-[[(2E)-1,2-diamino-2-(1H-pyridin-2-ylidene)ethylidene]amino]ethyl-trimethylazanium
CID 137215411
(2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide
CID 137215412
N'-[2-[(1-methyl-2H-pyridin-4-yl)amino]ethyl]ethanimidamide
CID 142175218
6-ethenyl-4-[(Z)-1-(methylamino)prop-1-en-2-yl]-2-methylimino-1,3-dihydropyrazine-5-thiol
CID 142817049
N-[(1Z)-3-piperazin-1-ylbuta-1,3-dienyl]ethanimine
CID 143098728

Frequently Asked Questions

What is the IUPAC name of N'-[(1E)-2-piperazin-1-ylbuta-1,3-dienyl]ethanimidamide?
The IUPAC name of N'-[(1E)-2-piperazin-1-ylbuta-1,3-dienyl]ethanimidamide (CID 171660727) is N'-[(1E)-2-piperazin-1-ylbuta-1,3-dienyl]ethanimidamide.
What is the SMILES notation for N'-[(1E)-2-piperazin-1-ylbuta-1,3-dienyl]ethanimidamide?
The canonical SMILES for N'-[(1E)-2-piperazin-1-ylbuta-1,3-dienyl]ethanimidamide is C=C/C(=C\N=C(/C)N)N1CCNCC1.
What is the InChIKey of N'-[(1E)-2-piperazin-1-ylbuta-1,3-dienyl]ethanimidamide?
The InChIKey is UAYXADUJSYBPOD-CSKARUKUSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-10(8-13-9(2)11)14-6-4-12-5-7-14/h3,8,12H,1,4-7H2,2H3,(H2,11,13)/b10-8+.
What are the key properties of N'-[(1E)-2-piperazin-1-ylbuta-1,3-dienyl]ethanimidamide?
N'-[(1E)-2-piperazin-1-ylbuta-1,3-dienyl]ethanimidamide has a molecular weight of 194.28 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1E)-2-piperazin-1-ylbuta-1,3-dienyl]ethanimidamide is sourced from PubChem (CID 171660727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).