(Z)-N-[(E)-cyclohexa-2,4-dien-1-ylidene-(4-methylpiperazin-1-yl)methyl]ethanimine

C14H21N3 — CID 143058901

IUPAC(Z)-N-[(E)-cyclohexa-2,4-dien-1-ylidene-(4-methylpiperazin-1-yl)methyl]ethanimine
SMILESC/C=N\C(=C1\C=CC=CC1)N1CCN(C)CC1
InChIInChI=1S/C14H21N3/c1-3-15-14(13-7-5-4-6-8-13)17-11-9-16(2)10-12-17/h3-7H,8-12H2,1-2H3/b14-13+,15-3-
InChIKeyTYTOQBLPBLGHEF-ILVBPBABSA-N
MW231.34 g/mol
LogP2.05
Rot. Bonds2

About (Z)-N-[(E)-cyclohexa-2,4-dien-1-ylidene-(4-methylpiperazin-1-yl)methyl]ethanimine

(Z)-N-[(E)-cyclohexa-2,4-dien-1-ylidene-(4-methylpiperazin-1-yl)methyl]ethanimine (PubChem CID 143058901) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (Z)-N-[(E)-cyclohexa-2,4-dien-1-ylidene-(4-methylpiperazin-1-yl)methyl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[(E)-cyclohexa-2,4-dien-1-ylidene-(4-methylpiperazin-1-yl)methyl]ethanimine
PubChem CID143058901
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(Z)-N-[(E)-cyclohexa-2,4-dien-1-ylidene-(4-methylpiperazin-1-yl)methyl]ethanimine
SMILESC/C=N\C(=C1\C=CC=CC1)N1CCN(C)CC1
InChIInChI=1S/C14H21N3/c1-3-15-14(13-7-5-4-6-8-13)17-11-9-16(2)10-12-17/h3-7H,8-12H2,1-2H3/b14-13+,15-3-
InChIKeyTYTOQBLPBLGHEF-ILVBPBABSA-N
XLogP2.05
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-N-[(E)-cyclohexa-2,4-dien-1-ylidene-(4-methylpiperazin-1-yl)methyl]ethanimine with MolForge

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Related Compounds

1-Ethyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine
CID 91490711
4,5-dimethyl-7-(4-methylpiperazin-1-yl)-3H-azepine
CID 123585574
N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)hexa-1,3-dienyl]methanimine
CID 129059916
N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine;ethane
CID 143058887
1-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-pyridinyl]piperazine
CID 143791655
(E,6Z)-6-[[(E)-[(E)-but-2-enylidene]amino]-(4-methylpiperazin-1-yl)methylidene]-N-methylcyclohexa-2,4-dien-1-imine
CID 143956358
(Z)-N-[(1Z,3Z)-3-methyl-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]ethanimine
CID 156819648
N-[(E)-cyclohexa-2,4-dien-1-ylidene-[(Z)-ethylideneamino]methyl]-N-propylpropan-1-amine
CID 143058888

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-cyclohexa-2,4-dien-1-ylidene-(4-methylpiperazin-1-yl)methyl]ethanimine?
The IUPAC name of (Z)-N-[(E)-cyclohexa-2,4-dien-1-ylidene-(4-methylpiperazin-1-yl)methyl]ethanimine (CID 143058901) is (Z)-N-[(E)-cyclohexa-2,4-dien-1-ylidene-(4-methylpiperazin-1-yl)methyl]ethanimine.
What is the SMILES notation for (Z)-N-[(E)-cyclohexa-2,4-dien-1-ylidene-(4-methylpiperazin-1-yl)methyl]ethanimine?
The canonical SMILES for (Z)-N-[(E)-cyclohexa-2,4-dien-1-ylidene-(4-methylpiperazin-1-yl)methyl]ethanimine is C/C=N\C(=C1\C=CC=CC1)N1CCN(C)CC1.
What is the InChIKey of (Z)-N-[(E)-cyclohexa-2,4-dien-1-ylidene-(4-methylpiperazin-1-yl)methyl]ethanimine?
The InChIKey is TYTOQBLPBLGHEF-ILVBPBABSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-15-14(13-7-5-4-6-8-13)17-11-9-16(2)10-12-17/h3-7H,8-12H2,1-2H3/b14-13+,15-3-.
What are the key properties of (Z)-N-[(E)-cyclohexa-2,4-dien-1-ylidene-(4-methylpiperazin-1-yl)methyl]ethanimine?
(Z)-N-[(E)-cyclohexa-2,4-dien-1-ylidene-(4-methylpiperazin-1-yl)methyl]ethanimine has a molecular weight of 231.34 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-cyclohexa-2,4-dien-1-ylidene-(4-methylpiperazin-1-yl)methyl]ethanimine is sourced from PubChem (CID 143058901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).