N-[(1Z)-3-piperazin-1-ylbuta-1,3-dienyl]ethanimine

C10H17N3 — CID 143098728

IUPACN-[(1Z)-3-piperazin-1-ylbuta-1,3-dienyl]ethanimine
SMILESC=C(/C=C\N=C\C)N1CCNCC1
InChIInChI=1S/C10H17N3/c1-3-11-5-4-10(2)13-8-6-12-7-9-13/h3-5,12H,2,6-9H2,1H3/b5-4-,11-3+
InChIKeyZJLAOPHXGGKWBQ-NEPXUXLISA-N
MW179.27 g/mol
LogP1.01
Rot. Bonds3

About N-[(1Z)-3-piperazin-1-ylbuta-1,3-dienyl]ethanimine

N-[(1Z)-3-piperazin-1-ylbuta-1,3-dienyl]ethanimine (PubChem CID 143098728) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-[(1Z)-3-piperazin-1-ylbuta-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1Z)-3-piperazin-1-ylbuta-1,3-dienyl]ethanimine
PubChem CID143098728
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-[(1Z)-3-piperazin-1-ylbuta-1,3-dienyl]ethanimine
SMILESC=C(/C=C\N=C\C)N1CCNCC1
InChIInChI=1S/C10H17N3/c1-3-11-5-4-10(2)13-8-6-12-7-9-13/h3-5,12H,2,6-9H2,1H3/b5-4-,11-3+
InChIKeyZJLAOPHXGGKWBQ-NEPXUXLISA-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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(1Z,3E)-4-[3-(trifluoromethyl)piperazin-1-yl]buta-1,3-dienyl]ethanimine
CID 134406644
(Z)-3-[3-(4-methylpiperazin-1-yl)but-1-en-2-ylimino]prop-1-en-1-amine
CID 68396661
Methyl-methylidene-[(1-methylpiperazin-2-ylidene)methyl]azanium
CID 91135733
(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-[(Z)-(4-methylpiperazin-2-ylidene)methyl]ethanimine
CID 126687721
N-[(2Z,4Z)-1-piperazin-1-ylhexa-2,4-dien-2-yl]methanimine
CID 132035455
N-[(1Z,3E)-3-piperazin-1-ylpenta-1,3-dienyl]methanimine
CID 132151580
(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
(2E,4E)-N-methyl-2-piperazin-1-ylhexa-2,4-dien-1-imine
CID 134406692

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-3-piperazin-1-ylbuta-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1Z)-3-piperazin-1-ylbuta-1,3-dienyl]ethanimine (CID 143098728) is N-[(1Z)-3-piperazin-1-ylbuta-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1Z)-3-piperazin-1-ylbuta-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1Z)-3-piperazin-1-ylbuta-1,3-dienyl]ethanimine is C=C(/C=C\N=C\C)N1CCNCC1.
What is the InChIKey of N-[(1Z)-3-piperazin-1-ylbuta-1,3-dienyl]ethanimine?
The InChIKey is ZJLAOPHXGGKWBQ-NEPXUXLISA-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,2,6-9H2,1H3/b5-4-,11-3+.
What are the key properties of N-[(1Z)-3-piperazin-1-ylbuta-1,3-dienyl]ethanimine?
N-[(1Z)-3-piperazin-1-ylbuta-1,3-dienyl]ethanimine 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 N-[(1Z)-3-piperazin-1-ylbuta-1,3-dienyl]ethanimine is sourced from PubChem (CID 143098728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).