5-methyl-2-piperazin-1-yl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]aniline

C24H32N4 — CID 168937384

IUPAC5-methyl-2-piperazin-1-yl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]aniline
SMILESC/C=C\N=C1/C=C(CNc2cc(C)ccc2N2CCNCC2)C=C/C1=C\CC
InChIInChI=1S/C24H32N4/c1-4-6-21-9-8-20(17-22(21)26-11-5-2)18-27-23-16-19(3)7-10-24(23)28-14-12-25-13-15-28/h5-11,16-17,25,27H,4,12-15,18H2,1-3H3/b11-5-,21-6+,26-22+
InChIKeyIFFRGQRJCGVBPL-ZXNUYLFBSA-N
MW376.55 g/mol
LogP4.62
Rot. Bonds6

About 5-methyl-2-piperazin-1-yl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]aniline

5-methyl-2-piperazin-1-yl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]aniline (PubChem CID 168937384) has the molecular formula C24H32N4 and a molecular weight of 376.55 g/mol. Its IUPAC name is 5-methyl-2-piperazin-1-yl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]aniline.

Molecular Properties

Compound Name5-methyl-2-piperazin-1-yl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]aniline
PubChem CID168937384
Molecular FormulaC24H32N4
Molecular Weight376.55 g/mol
Exact Mass376.26
IUPAC Name5-methyl-2-piperazin-1-yl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]aniline
SMILESC/C=C\N=C1/C=C(CNc2cc(C)ccc2N2CCNCC2)C=C/C1=C\CC
InChIInChI=1S/C24H32N4/c1-4-6-21-9-8-20(17-22(21)26-11-5-2)18-27-23-16-19(3)7-10-24(23)28-14-12-25-13-15-28/h5-11,16-17,25,27H,4,12-15,18H2,1-3H3/b11-5-,21-6+,26-22+
InChIKeyIFFRGQRJCGVBPL-ZXNUYLFBSA-N
XLogP4.62
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperazin-1-yl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]aniline?
The IUPAC name of 5-methyl-2-piperazin-1-yl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]aniline (CID 168937384) is 5-methyl-2-piperazin-1-yl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]aniline.
What is the SMILES notation for 5-methyl-2-piperazin-1-yl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]aniline?
The canonical SMILES for 5-methyl-2-piperazin-1-yl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]aniline is C/C=C\N=C1/C=C(CNc2cc(C)ccc2N2CCNCC2)C=C/C1=C\CC.
What is the InChIKey of 5-methyl-2-piperazin-1-yl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]aniline?
The InChIKey is IFFRGQRJCGVBPL-ZXNUYLFBSA-N. The full InChI is InChI=1S/C24H32N4/c1-4-6-21-9-8-20(17-22(21)26-11-5-2)18-27-23-16-19(3)7-10-24(23)28-14-12-25-13-15-28/h5-11,16-17,25,27H,4,12-15,18H2,1-3H3/b11-5-,21-6+,26-22+.
What are the key properties of 5-methyl-2-piperazin-1-yl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]aniline?
5-methyl-2-piperazin-1-yl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]aniline has a molecular weight of 376.55 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperazin-1-yl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]aniline is sourced from PubChem (CID 168937384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).