ethane;(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine

C12H25N3 — CID 144622099

IUPACethane;(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine
SMILESC/C=C(\C=N\CC)N1CCNCC1.CC
InChIInChI=1S/C10H19N3.C2H6/c1-3-10(9-11-4-2)13-7-5-12-6-8-13;1-2/h3,9,12H,4-8H2,1-2H3;1-2H3/b10-3+,11-9+;
InChIKeyNOUBSLSWMBVBCU-JCMMMSSJSA-N
MW211.35 g/mol
LogP1.91
Rot. Bonds3

About ethane;(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine

ethane;(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine (PubChem CID 144622099) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is ethane;(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine.

Molecular Properties

Compound Nameethane;(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine
PubChem CID144622099
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Nameethane;(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine
SMILESC/C=C(\C=N\CC)N1CCNCC1.CC
InChIInChI=1S/C10H19N3.C2H6/c1-3-10(9-11-4-2)13-7-5-12-6-8-13;1-2/h3,9,12H,4-8H2,1-2H3;1-2H3/b10-3+,11-9+;
InChIKeyNOUBSLSWMBVBCU-JCMMMSSJSA-N
XLogP1.91
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-but-2-en-2-yl]-2-[2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-imine
CID 145197821
5-(4-Ethylpiperazin-1-yl)-2,3-dihydropyridin-2-amine
CID 70889952
1-But-2-en-2-ylpiperazine
CID 90791607
Methyl-methylidene-[(1-methylpiperazin-2-ylidene)methyl]azanium
CID 91135733
(2E)-N-methyl-3-piperazin-1-ylpenta-2,4-dien-1-imine
CID 117943486
1-(2,3-Dihydropyridin-5-yl)piperazine
CID 123318948
3-(4-Ethylpiperazin-1-yl)but-2-en-1-imine
CID 123604001
2-Piperazin-1-ylprop-2-en-1-imine
CID 123720959
2-Piperazin-1-ylbut-2-en-1-imine
CID 123781310
[2-(4-Ethylpiperazin-1-yl)penta-2,4-dienylideneamino]methanamine
CID 123807778
N-ethyl-2-piperazin-1-ylbut-2-en-1-imine
CID 124033166
N-[(Z)-(4-methylpiperazin-2-ylidene)methyl]ethanimine
CID 126687721

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine?
The IUPAC name of ethane;(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine (CID 144622099) is ethane;(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine.
What is the SMILES notation for ethane;(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine?
The canonical SMILES for ethane;(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine is C/C=C(\C=N\CC)N1CCNCC1.CC.
What is the InChIKey of ethane;(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine?
The InChIKey is NOUBSLSWMBVBCU-JCMMMSSJSA-N. The full InChI is InChI=1S/C10H19N3.C2H6/c1-3-10(9-11-4-2)13-7-5-12-6-8-13;1-2/h3,9,12H,4-8H2,1-2H3;1-2H3/b10-3+,11-9+;.
What are the key properties of ethane;(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine?
ethane;(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine has a molecular weight of 211.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N-ethyl-2-piperazin-1-ylbut-2-en-1-imine is sourced from PubChem (CID 144622099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).