(E,6Z)-6-[[(E)-[(E)-but-2-enylidene]amino]-(4-methylpiperazin-1-yl)methylidene]-N-methylcyclohexa-2,4-dien-1-imine

C17H24N4 — CID 143956358

IUPAC(E,6Z)-6-[[(E)-[(E)-but-2-enylidene]amino]-(4-methylpiperazin-1-yl)methylidene]-N-methylcyclohexa-2,4-dien-1-imine
SMILESC/C=C/C=N/C(=C1/C=CC=C/C1=N\C)N1CCN(C)CC1
InChIInChI=1S/C17H24N4/c1-4-5-10-19-17(21-13-11-20(3)12-14-21)15-8-6-7-9-16(15)18-2/h4-10H,11-14H2,1-3H3/b5-4+,17-15+,18-16+,19-10+
InChIKeyYLLDPHMAKJVZSJ-KRGCGORWSA-N
MW284.41 g/mol
LogP2.29
Rot. Bonds3

About (E,6Z)-6-[[(E)-[(E)-but-2-enylidene]amino]-(4-methylpiperazin-1-yl)methylidene]-N-methylcyclohexa-2,4-dien-1-imine

(E,6Z)-6-[[(E)-[(E)-but-2-enylidene]amino]-(4-methylpiperazin-1-yl)methylidene]-N-methylcyclohexa-2,4-dien-1-imine (PubChem CID 143956358) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is (E,6Z)-6-[[(E)-[(E)-but-2-enylidene]amino]-(4-methylpiperazin-1-yl)methylidene]-N-methylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(E,6Z)-6-[[(E)-[(E)-but-2-enylidene]amino]-(4-methylpiperazin-1-yl)methylidene]-N-methylcyclohexa-2,4-dien-1-imine
PubChem CID143956358
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name(E,6Z)-6-[[(E)-[(E)-but-2-enylidene]amino]-(4-methylpiperazin-1-yl)methylidene]-N-methylcyclohexa-2,4-dien-1-imine
SMILESC/C=C/C=N/C(=C1/C=CC=C/C1=N\C)N1CCN(C)CC1
InChIInChI=1S/C17H24N4/c1-4-5-10-19-17(21-13-11-20(3)12-14-21)15-8-6-7-9-16(15)18-2/h4-10H,11-14H2,1-3H3/b5-4+,17-15+,18-16+,19-10+
InChIKeyYLLDPHMAKJVZSJ-KRGCGORWSA-N
XLogP2.29
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,8-difluoro-6-(4-methylpiperazin-1-yl)-10aH-benzo[b][1,4]benzodiazepine
CID 91826037
6-(4-methylpiperazin-1-yl)-11aH-benzo[b][1,4]benzodiazepine
CID 165619088
(1E,3Z)-1-[4-[1-[4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]ethyl]piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 130384553
(Z)-N-[(E)-cyclohexa-2,4-dien-1-ylidene-(4-methylpiperazin-1-yl)methyl]ethanimine
CID 143058901
ethane;N'-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]-N,N,N'-trimethylethane-1,2-diamine;pentane
CID 143956370
N'-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 143956371

Frequently Asked Questions

What is the IUPAC name of (E,6Z)-6-[[(E)-[(E)-but-2-enylidene]amino]-(4-methylpiperazin-1-yl)methylidene]-N-methylcyclohexa-2,4-dien-1-imine?
The IUPAC name of (E,6Z)-6-[[(E)-[(E)-but-2-enylidene]amino]-(4-methylpiperazin-1-yl)methylidene]-N-methylcyclohexa-2,4-dien-1-imine (CID 143956358) is (E,6Z)-6-[[(E)-[(E)-but-2-enylidene]amino]-(4-methylpiperazin-1-yl)methylidene]-N-methylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (E,6Z)-6-[[(E)-[(E)-but-2-enylidene]amino]-(4-methylpiperazin-1-yl)methylidene]-N-methylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for (E,6Z)-6-[[(E)-[(E)-but-2-enylidene]amino]-(4-methylpiperazin-1-yl)methylidene]-N-methylcyclohexa-2,4-dien-1-imine is C/C=C/C=N/C(=C1/C=CC=C/C1=N\C)N1CCN(C)CC1.
What is the InChIKey of (E,6Z)-6-[[(E)-[(E)-but-2-enylidene]amino]-(4-methylpiperazin-1-yl)methylidene]-N-methylcyclohexa-2,4-dien-1-imine?
The InChIKey is YLLDPHMAKJVZSJ-KRGCGORWSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-5-10-19-17(21-13-11-20(3)12-14-21)15-8-6-7-9-16(15)18-2/h4-10H,11-14H2,1-3H3/b5-4+,17-15+,18-16+,19-10+.
What are the key properties of (E,6Z)-6-[[(E)-[(E)-but-2-enylidene]amino]-(4-methylpiperazin-1-yl)methylidene]-N-methylcyclohexa-2,4-dien-1-imine?
(E,6Z)-6-[[(E)-[(E)-but-2-enylidene]amino]-(4-methylpiperazin-1-yl)methylidene]-N-methylcyclohexa-2,4-dien-1-imine has a molecular weight of 284.41 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6Z)-6-[[(E)-[(E)-but-2-enylidene]amino]-(4-methylpiperazin-1-yl)methylidene]-N-methylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 143956358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).