1-[4-[1-[2,4-dimethyl-5-[[4-[(E)-pent-2-en-2-yl]piperazin-1-yl]methyl]phenyl]ethenyl]piperazin-1-yl]ethanimine

C26H41N5 — CID 134514006

IUPAC1-[4-[1-[2,4-dimethyl-5-[[4-[(E)-pent-2-en-2-yl]piperazin-1-yl]methyl]phenyl]ethenyl]piperazin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCN(C(=C)c2cc(CN3CCN(/C(C)=C/CC)CC3)c(C)cc2C)CC1
InChIInChI=1S/C26H41N5/c1-7-8-22(4)29-11-9-28(10-12-29)19-25-18-26(21(3)17-20(25)2)23(5)30-13-15-31(16-14-30)24(6)27/h8,17-18,27H,5,7,9-16,19H2,1-4,6H3/b22-8+,27-24+
InChIKeyJWOMDHNOHZEHPM-VJPIGWEDSA-N
MW423.65 g/mol
LogP4.32
Rot. Bonds6

About 1-[4-[1-[2,4-dimethyl-5-[[4-[(E)-pent-2-en-2-yl]piperazin-1-yl]methyl]phenyl]ethenyl]piperazin-1-yl]ethanimine

1-[4-[1-[2,4-dimethyl-5-[[4-[(E)-pent-2-en-2-yl]piperazin-1-yl]methyl]phenyl]ethenyl]piperazin-1-yl]ethanimine (PubChem CID 134514006) has the molecular formula C26H41N5 and a molecular weight of 423.65 g/mol. Its IUPAC name is 1-[4-[1-[2,4-dimethyl-5-[[4-[(E)-pent-2-en-2-yl]piperazin-1-yl]methyl]phenyl]ethenyl]piperazin-1-yl]ethanimine.

Molecular Properties

Compound Name1-[4-[1-[2,4-dimethyl-5-[[4-[(E)-pent-2-en-2-yl]piperazin-1-yl]methyl]phenyl]ethenyl]piperazin-1-yl]ethanimine
PubChem CID134514006
Molecular FormulaC26H41N5
Molecular Weight423.65 g/mol
Exact Mass423.34
IUPAC Name1-[4-[1-[2,4-dimethyl-5-[[4-[(E)-pent-2-en-2-yl]piperazin-1-yl]methyl]phenyl]ethenyl]piperazin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCN(C(=C)c2cc(CN3CCN(/C(C)=C/CC)CC3)c(C)cc2C)CC1
InChIInChI=1S/C26H41N5/c1-7-8-22(4)29-11-9-28(10-12-29)19-25-18-26(21(3)17-20(25)2)23(5)30-13-15-31(16-14-30)24(6)27/h8,17-18,27H,5,7,9-16,19H2,1-4,6H3/b22-8+,27-24+
InChIKeyJWOMDHNOHZEHPM-VJPIGWEDSA-N
XLogP4.32
TPSA36.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.65
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[2,4-dimethyl-5-[[4-[(E)-pent-2-en-2-yl]piperazin-1-yl]methyl]phenyl]ethenyl]piperazin-1-yl]ethanimine?
The IUPAC name of 1-[4-[1-[2,4-dimethyl-5-[[4-[(E)-pent-2-en-2-yl]piperazin-1-yl]methyl]phenyl]ethenyl]piperazin-1-yl]ethanimine (CID 134514006) is 1-[4-[1-[2,4-dimethyl-5-[[4-[(E)-pent-2-en-2-yl]piperazin-1-yl]methyl]phenyl]ethenyl]piperazin-1-yl]ethanimine.
What is the SMILES notation for 1-[4-[1-[2,4-dimethyl-5-[[4-[(E)-pent-2-en-2-yl]piperazin-1-yl]methyl]phenyl]ethenyl]piperazin-1-yl]ethanimine?
The canonical SMILES for 1-[4-[1-[2,4-dimethyl-5-[[4-[(E)-pent-2-en-2-yl]piperazin-1-yl]methyl]phenyl]ethenyl]piperazin-1-yl]ethanimine is [H]/N=C(\C)N1CCN(C(=C)c2cc(CN3CCN(/C(C)=C/CC)CC3)c(C)cc2C)CC1.
What is the InChIKey of 1-[4-[1-[2,4-dimethyl-5-[[4-[(E)-pent-2-en-2-yl]piperazin-1-yl]methyl]phenyl]ethenyl]piperazin-1-yl]ethanimine?
The InChIKey is JWOMDHNOHZEHPM-VJPIGWEDSA-N. The full InChI is InChI=1S/C26H41N5/c1-7-8-22(4)29-11-9-28(10-12-29)19-25-18-26(21(3)17-20(25)2)23(5)30-13-15-31(16-14-30)24(6)27/h8,17-18,27H,5,7,9-16,19H2,1-4,6H3/b22-8+,27-24+.
What are the key properties of 1-[4-[1-[2,4-dimethyl-5-[[4-[(E)-pent-2-en-2-yl]piperazin-1-yl]methyl]phenyl]ethenyl]piperazin-1-yl]ethanimine?
1-[4-[1-[2,4-dimethyl-5-[[4-[(E)-pent-2-en-2-yl]piperazin-1-yl]methyl]phenyl]ethenyl]piperazin-1-yl]ethanimine has a molecular weight of 423.65 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[2,4-dimethyl-5-[[4-[(E)-pent-2-en-2-yl]piperazin-1-yl]methyl]phenyl]ethenyl]piperazin-1-yl]ethanimine is sourced from PubChem (CID 134514006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).