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

C13H25N3 — CID 145198054

IUPACethane;(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)/N=C/C(=C\C)N1CCNCC1.CC
InChIInChI=1S/C11H19N3.C2H6/c1-4-11(9-13-10(2)3)14-7-5-12-6-8-14;1-2/h4,9,12H,2,5-8H2,1,3H3;1-2H3/b11-4+,13-9+;
InChIKeyFQASRCJTWDCYOI-WCVHBJARSA-N
MW223.36 g/mol
LogP2.43
Rot. Bonds3

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

ethane;(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine (PubChem CID 145198054) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is ethane;(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Nameethane;(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine
PubChem CID145198054
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Nameethane;(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)/N=C/C(=C\C)N1CCNCC1.CC
InChIInChI=1S/C11H19N3.C2H6/c1-4-11(9-13-10(2)3)14-7-5-12-6-8-14;1-2/h4,9,12H,2,5-8H2,1,3H3;1-2H3/b11-4+,13-9+;
InChIKeyFQASRCJTWDCYOI-WCVHBJARSA-N
XLogP2.43
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine?
The IUPAC name of ethane;(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine (CID 145198054) is ethane;(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine.
What is the SMILES notation for ethane;(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine?
The canonical SMILES for ethane;(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine is C=C(C)/N=C/C(=C\C)N1CCNCC1.CC.
What is the InChIKey of ethane;(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine?
The InChIKey is FQASRCJTWDCYOI-WCVHBJARSA-N. The full InChI is InChI=1S/C11H19N3.C2H6/c1-4-11(9-13-10(2)3)14-7-5-12-6-8-14;1-2/h4,9,12H,2,5-8H2,1,3H3;1-2H3/b11-4+,13-9+;.
What are the key properties of ethane;(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine?
ethane;(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine has a molecular weight of 223.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine is sourced from PubChem (CID 145198054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).