ethane;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine

C13H25N3 — CID 145197718

IUPACethane;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine
SMILESC=C(/C=N/C(=C)C)CN1CCNCC1.CC
InChIInChI=1S/C11H19N3.C2H6/c1-10(2)13-8-11(3)9-14-6-4-12-5-7-14;1-2/h8,12H,1,3-7,9H2,2H3;1-2H3/b13-8+;
InChIKeyXEVVZNUULYBVJW-FNXZNAJJSA-N
MW223.36 g/mol
LogP2.08
Rot. Bonds4

About ethane;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine

ethane;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine (PubChem CID 145197718) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is ethane;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine.

Molecular Properties

Compound Nameethane;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine
PubChem CID145197718
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Nameethane;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine
SMILESC=C(/C=N/C(=C)C)CN1CCNCC1.CC
InChIInChI=1S/C11H19N3.C2H6/c1-10(2)13-8-11(3)9-14-6-4-12-5-7-14;1-2/h8,12H,1,3-7,9H2,2H3;1-2H3/b13-8+;
InChIKeyXEVVZNUULYBVJW-FNXZNAJJSA-N
XLogP2.08
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.08
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;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine?
The IUPAC name of ethane;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine (CID 145197718) is ethane;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine.
What is the SMILES notation for ethane;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine?
The canonical SMILES for ethane;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine is C=C(/C=N/C(=C)C)CN1CCNCC1.CC.
What is the InChIKey of ethane;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine?
The InChIKey is XEVVZNUULYBVJW-FNXZNAJJSA-N. The full InChI is InChI=1S/C11H19N3.C2H6/c1-10(2)13-8-11(3)9-14-6-4-12-5-7-14;1-2/h8,12H,1,3-7,9H2,2H3;1-2H3/b13-8+;.
What are the key properties of ethane;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine?
ethane;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine has a molecular weight of 223.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine is sourced from PubChem (CID 145197718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).