N-[(2Z,4E)-5-methyl-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine

C13H23N3 — CID 134406725

IUPACN-[(2Z,4E)-5-methyl-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine
SMILESC/C=N/C(C)=C\C=C(/C)CN1CCNCC1
InChIInChI=1S/C13H23N3/c1-4-15-13(3)6-5-12(2)11-16-9-7-14-8-10-16/h4-6,14H,7-11H2,1-3H3/b12-5+,13-6-,15-4+
InChIKeyBMXCOVMHPWPQIL-DDFLDTNHSA-N
MW221.35 g/mol
LogP1.83
Rot. Bonds4

About N-[(2Z,4E)-5-methyl-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine

N-[(2Z,4E)-5-methyl-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine (PubChem CID 134406725) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[(2Z,4E)-5-methyl-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(2Z,4E)-5-methyl-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine
PubChem CID134406725
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[(2Z,4E)-5-methyl-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine
SMILESC/C=N/C(C)=C\C=C(/C)CN1CCNCC1
InChIInChI=1S/C13H23N3/c1-4-15-13(3)6-5-12(2)11-16-9-7-14-8-10-16/h4-6,14H,7-11H2,1-3H3/b12-5+,13-6-,15-4+
InChIKeyBMXCOVMHPWPQIL-DDFLDTNHSA-N
XLogP1.83
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 ≤ 51.83
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 N-[(2Z,4E)-5-methyl-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine?
The IUPAC name of N-[(2Z,4E)-5-methyl-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine (CID 134406725) is N-[(2Z,4E)-5-methyl-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine.
What is the SMILES notation for N-[(2Z,4E)-5-methyl-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine?
The canonical SMILES for N-[(2Z,4E)-5-methyl-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine is C/C=N/C(C)=C\C=C(/C)CN1CCNCC1.
What is the InChIKey of N-[(2Z,4E)-5-methyl-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine?
The InChIKey is BMXCOVMHPWPQIL-DDFLDTNHSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-15-13(3)6-5-12(2)11-16-9-7-14-8-10-16/h4-6,14H,7-11H2,1-3H3/b12-5+,13-6-,15-4+.
What are the key properties of N-[(2Z,4E)-5-methyl-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine?
N-[(2Z,4E)-5-methyl-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine has a molecular weight of 221.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-5-methyl-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine is sourced from PubChem (CID 134406725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).