(2E,4E)-N-methyl-2-piperazin-1-ylhexa-2,4-dien-1-imine

C11H19N3 — CID 134406692

IUPAC(2E,4E)-N-methyl-2-piperazin-1-ylhexa-2,4-dien-1-imine
SMILESC/C=C/C=C(\C=N\C)N1CCNCC1
InChIInChI=1S/C11H19N3/c1-3-4-5-11(10-12-2)14-8-6-13-7-9-14/h3-5,10,13H,6-9H2,1-2H3/b4-3+,11-5+,12-10+
InChIKeyPHMPXFLWNRJHQM-RJRDZTQESA-N
MW193.29 g/mol
LogP1.05
Rot. Bonds3

About (2E,4E)-N-methyl-2-piperazin-1-ylhexa-2,4-dien-1-imine

(2E,4E)-N-methyl-2-piperazin-1-ylhexa-2,4-dien-1-imine (PubChem CID 134406692) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (2E,4E)-N-methyl-2-piperazin-1-ylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4E)-N-methyl-2-piperazin-1-ylhexa-2,4-dien-1-imine
PubChem CID134406692
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(2E,4E)-N-methyl-2-piperazin-1-ylhexa-2,4-dien-1-imine
SMILESC/C=C/C=C(\C=N\C)N1CCNCC1
InChIInChI=1S/C11H19N3/c1-3-4-5-11(10-12-2)14-8-6-13-7-9-14/h3-5,10,13H,6-9H2,1-2H3/b4-3+,11-5+,12-10+
InChIKeyPHMPXFLWNRJHQM-RJRDZTQESA-N
XLogP1.05
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-methyl-2-piperazin-1-ylhexa-2,4-dien-1-imine?
The IUPAC name of (2E,4E)-N-methyl-2-piperazin-1-ylhexa-2,4-dien-1-imine (CID 134406692) is (2E,4E)-N-methyl-2-piperazin-1-ylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2E,4E)-N-methyl-2-piperazin-1-ylhexa-2,4-dien-1-imine?
The canonical SMILES for (2E,4E)-N-methyl-2-piperazin-1-ylhexa-2,4-dien-1-imine is C/C=C/C=C(\C=N\C)N1CCNCC1.
What is the InChIKey of (2E,4E)-N-methyl-2-piperazin-1-ylhexa-2,4-dien-1-imine?
The InChIKey is PHMPXFLWNRJHQM-RJRDZTQESA-N. The full InChI is InChI=1S/C11H19N3/c1-3-4-5-11(10-12-2)14-8-6-13-7-9-14/h3-5,10,13H,6-9H2,1-2H3/b4-3+,11-5+,12-10+.
What are the key properties of (2E,4E)-N-methyl-2-piperazin-1-ylhexa-2,4-dien-1-imine?
(2E,4E)-N-methyl-2-piperazin-1-ylhexa-2,4-dien-1-imine has a molecular weight of 193.29 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-methyl-2-piperazin-1-ylhexa-2,4-dien-1-imine is sourced from PubChem (CID 134406692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).