(E)-N-[(Z)-but-2-en-2-yl]-3-piperazin-1-ylpent-3-en-1-imine

C13H23N3 — CID 134406002

IUPAC(E)-N-[(Z)-but-2-en-2-yl]-3-piperazin-1-ylpent-3-en-1-imine
SMILESC/C=C(C)\N=C\C/C(=C\C)N1CCNCC1
InChIInChI=1S/C13H23N3/c1-4-12(3)15-7-6-13(5-2)16-10-8-14-9-11-16/h4-5,7,14H,6,8-11H2,1-3H3/b12-4-,13-5+,15-7+
InChIKeyYTVBBXLLZNBCIM-LQVVFQEBSA-N
MW221.35 g/mol
LogP2.18
Rot. Bonds4

About (E)-N-[(Z)-but-2-en-2-yl]-3-piperazin-1-ylpent-3-en-1-imine

(E)-N-[(Z)-but-2-en-2-yl]-3-piperazin-1-ylpent-3-en-1-imine (PubChem CID 134406002) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (E)-N-[(Z)-but-2-en-2-yl]-3-piperazin-1-ylpent-3-en-1-imine.

Molecular Properties

Compound Name(E)-N-[(Z)-but-2-en-2-yl]-3-piperazin-1-ylpent-3-en-1-imine
PubChem CID134406002
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(E)-N-[(Z)-but-2-en-2-yl]-3-piperazin-1-ylpent-3-en-1-imine
SMILESC/C=C(C)\N=C\C/C(=C\C)N1CCNCC1
InChIInChI=1S/C13H23N3/c1-4-12(3)15-7-6-13(5-2)16-10-8-14-9-11-16/h4-5,7,14H,6,8-11H2,1-3H3/b12-4-,13-5+,15-7+
InChIKeyYTVBBXLLZNBCIM-LQVVFQEBSA-N
XLogP2.18
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.18
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 (E)-N-[(Z)-but-2-en-2-yl]-3-piperazin-1-ylpent-3-en-1-imine?
The IUPAC name of (E)-N-[(Z)-but-2-en-2-yl]-3-piperazin-1-ylpent-3-en-1-imine (CID 134406002) is (E)-N-[(Z)-but-2-en-2-yl]-3-piperazin-1-ylpent-3-en-1-imine.
What is the SMILES notation for (E)-N-[(Z)-but-2-en-2-yl]-3-piperazin-1-ylpent-3-en-1-imine?
The canonical SMILES for (E)-N-[(Z)-but-2-en-2-yl]-3-piperazin-1-ylpent-3-en-1-imine is C/C=C(C)\N=C\C/C(=C\C)N1CCNCC1.
What is the InChIKey of (E)-N-[(Z)-but-2-en-2-yl]-3-piperazin-1-ylpent-3-en-1-imine?
The InChIKey is YTVBBXLLZNBCIM-LQVVFQEBSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-12(3)15-7-6-13(5-2)16-10-8-14-9-11-16/h4-5,7,14H,6,8-11H2,1-3H3/b12-4-,13-5+,15-7+.
What are the key properties of (E)-N-[(Z)-but-2-en-2-yl]-3-piperazin-1-ylpent-3-en-1-imine?
(E)-N-[(Z)-but-2-en-2-yl]-3-piperazin-1-ylpent-3-en-1-imine has a molecular weight of 221.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-but-2-en-2-yl]-3-piperazin-1-ylpent-3-en-1-imine is sourced from PubChem (CID 134406002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).