N-[(Z)-but-1-en-3-ynyl]-1-piperazin-1-ylethanimine

C10H15N3 — CID 143225976

IUPACN-[(Z)-but-1-en-3-ynyl]-1-piperazin-1-ylethanimine
SMILESC#C/C=C\N=C(/C)N1CCNCC1
InChIInChI=1S/C10H15N3/c1-3-4-5-12-10(2)13-8-6-11-7-9-13/h1,4-5,11H,6-9H2,2H3/b5-4-,12-10+
InChIKeyAPYBUMBVSYBFRF-KYTHIUCFSA-N
MW177.25 g/mol
LogP0.46
Rot. Bonds1

About N-[(Z)-but-1-en-3-ynyl]-1-piperazin-1-ylethanimine

N-[(Z)-but-1-en-3-ynyl]-1-piperazin-1-ylethanimine (PubChem CID 143225976) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[(Z)-but-1-en-3-ynyl]-1-piperazin-1-ylethanimine.

Molecular Properties

Compound NameN-[(Z)-but-1-en-3-ynyl]-1-piperazin-1-ylethanimine
PubChem CID143225976
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-[(Z)-but-1-en-3-ynyl]-1-piperazin-1-ylethanimine
SMILESC#C/C=C\N=C(/C)N1CCNCC1
InChIInChI=1S/C10H15N3/c1-3-4-5-12-10(2)13-8-6-11-7-9-13/h1,4-5,11H,6-9H2,2H3/b5-4-,12-10+
InChIKeyAPYBUMBVSYBFRF-KYTHIUCFSA-N
XLogP0.46
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', '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
N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine
CID 89117793
N-ethenyl-1-piperazin-1-ylethanimine
CID 123747568
N-ethenyl-1-piperazin-1-ylpropan-1-imine
CID 123885929
4-methyl-N-[(Z)-prop-1-enyl]-3,5-dihydro-2H-pyrazin-6-amine
CID 126687745
N-ethenyl-1-methylpiperazin-2-imine
CID 134309172
N-ethenyl-1-piperazin-1-ylprop-2-en-1-imine
CID 143430211
1-piperazin-1-yl-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 143698770
N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine;ethane
CID 144038774
1-ethenyl-N-methylpiperazin-2-imine
CID 144991602
ethane;1-ethenyl-N-methylpiperazin-2-imine
CID 145392859

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-1-en-3-ynyl]-1-piperazin-1-ylethanimine?
The IUPAC name of N-[(Z)-but-1-en-3-ynyl]-1-piperazin-1-ylethanimine (CID 143225976) is N-[(Z)-but-1-en-3-ynyl]-1-piperazin-1-ylethanimine.
What is the SMILES notation for N-[(Z)-but-1-en-3-ynyl]-1-piperazin-1-ylethanimine?
The canonical SMILES for N-[(Z)-but-1-en-3-ynyl]-1-piperazin-1-ylethanimine is C#C/C=C\N=C(/C)N1CCNCC1.
What is the InChIKey of N-[(Z)-but-1-en-3-ynyl]-1-piperazin-1-ylethanimine?
The InChIKey is APYBUMBVSYBFRF-KYTHIUCFSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-4-5-12-10(2)13-8-6-11-7-9-13/h1,4-5,11H,6-9H2,2H3/b5-4-,12-10+.
What are the key properties of N-[(Z)-but-1-en-3-ynyl]-1-piperazin-1-ylethanimine?
N-[(Z)-but-1-en-3-ynyl]-1-piperazin-1-ylethanimine has a molecular weight of 177.25 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-1-en-3-ynyl]-1-piperazin-1-ylethanimine is sourced from PubChem (CID 143225976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).