1-[(1E)-2,4-dimethyl-3-[1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethenyl]penta-1,3-dienyl]-2-(1-methylcyclopropyl)hydrazine

C25H38N4 — CID 138665616

IUPAC1-[(1E)-2,4-dimethyl-3-[1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethenyl]penta-1,3-dienyl]-2-(1-methylcyclopropyl)hydrazine
SMILESC=C(C(=C(C)C)/C(C)=C/NNC1(C)CC1)N1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C25H38N4/c1-19(2)24(21(4)17-26-27-25(6)10-11-25)22(5)29-14-12-28(13-15-29)18-23-9-7-8-20(3)16-23/h7-9,16-17,26-27H,5,10-15,18H2,1-4,6H3/b21-17+
InChIKeyKWSGINMKOAONCR-HEHNFIMWSA-N
MW394.61 g/mol
LogP4.51
Rot. Bonds8

About 1-[(1E)-2,4-dimethyl-3-[1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethenyl]penta-1,3-dienyl]-2-(1-methylcyclopropyl)hydrazine

1-[(1E)-2,4-dimethyl-3-[1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethenyl]penta-1,3-dienyl]-2-(1-methylcyclopropyl)hydrazine (PubChem CID 138665616) has the molecular formula C25H38N4 and a molecular weight of 394.61 g/mol. Its IUPAC name is 1-[(1E)-2,4-dimethyl-3-[1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethenyl]penta-1,3-dienyl]-2-(1-methylcyclopropyl)hydrazine.

Molecular Properties

Compound Name1-[(1E)-2,4-dimethyl-3-[1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethenyl]penta-1,3-dienyl]-2-(1-methylcyclopropyl)hydrazine
PubChem CID138665616
Molecular FormulaC25H38N4
Molecular Weight394.61 g/mol
Exact Mass394.31
IUPAC Name1-[(1E)-2,4-dimethyl-3-[1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethenyl]penta-1,3-dienyl]-2-(1-methylcyclopropyl)hydrazine
SMILESC=C(C(=C(C)C)/C(C)=C/NNC1(C)CC1)N1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C25H38N4/c1-19(2)24(21(4)17-26-27-25(6)10-11-25)22(5)29-14-12-28(13-15-29)18-23-9-7-8-20(3)16-23/h7-9,16-17,26-27H,5,10-15,18H2,1-4,6H3/b21-17+
InChIKeyKWSGINMKOAONCR-HEHNFIMWSA-N
XLogP4.51
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.61
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-2,4-dimethyl-3-[1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethenyl]penta-1,3-dienyl]-2-(1-methylcyclopropyl)hydrazine?
The IUPAC name of 1-[(1E)-2,4-dimethyl-3-[1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethenyl]penta-1,3-dienyl]-2-(1-methylcyclopropyl)hydrazine (CID 138665616) is 1-[(1E)-2,4-dimethyl-3-[1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethenyl]penta-1,3-dienyl]-2-(1-methylcyclopropyl)hydrazine.
What is the SMILES notation for 1-[(1E)-2,4-dimethyl-3-[1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethenyl]penta-1,3-dienyl]-2-(1-methylcyclopropyl)hydrazine?
The canonical SMILES for 1-[(1E)-2,4-dimethyl-3-[1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethenyl]penta-1,3-dienyl]-2-(1-methylcyclopropyl)hydrazine is C=C(C(=C(C)C)/C(C)=C/NNC1(C)CC1)N1CCN(Cc2cccc(C)c2)CC1.
What is the InChIKey of 1-[(1E)-2,4-dimethyl-3-[1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethenyl]penta-1,3-dienyl]-2-(1-methylcyclopropyl)hydrazine?
The InChIKey is KWSGINMKOAONCR-HEHNFIMWSA-N. The full InChI is InChI=1S/C25H38N4/c1-19(2)24(21(4)17-26-27-25(6)10-11-25)22(5)29-14-12-28(13-15-29)18-23-9-7-8-20(3)16-23/h7-9,16-17,26-27H,5,10-15,18H2,1-4,6H3/b21-17+.
What are the key properties of 1-[(1E)-2,4-dimethyl-3-[1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethenyl]penta-1,3-dienyl]-2-(1-methylcyclopropyl)hydrazine?
1-[(1E)-2,4-dimethyl-3-[1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethenyl]penta-1,3-dienyl]-2-(1-methylcyclopropyl)hydrazine has a molecular weight of 394.61 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-2,4-dimethyl-3-[1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethenyl]penta-1,3-dienyl]-2-(1-methylcyclopropyl)hydrazine is sourced from PubChem (CID 138665616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).