(Z)-N-[(E)-1-(2-methylpiperazin-1-yl)prop-1-en-2-yl]pent-2-en-1-imine

C13H23N3 — CID 123800549

IUPAC(Z)-N-[(E)-1-(2-methylpiperazin-1-yl)prop-1-en-2-yl]pent-2-en-1-imine
SMILESCC/C=C\C=N\C(C)=C\N1CCNCC1C
InChIInChI=1S/C13H23N3/c1-4-5-6-7-15-12(2)11-16-9-8-14-10-13(16)3/h5-7,11,13-14H,4,8-10H2,1-3H3/b6-5-,12-11+,15-7+
InChIKeyGGTAQMWZJARZEF-UMLTUQGVSA-N
MW221.35 g/mol
LogP2.18
Rot. Bonds4

About (Z)-N-[(E)-1-(2-methylpiperazin-1-yl)prop-1-en-2-yl]pent-2-en-1-imine

(Z)-N-[(E)-1-(2-methylpiperazin-1-yl)prop-1-en-2-yl]pent-2-en-1-imine (PubChem CID 123800549) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (Z)-N-[(E)-1-(2-methylpiperazin-1-yl)prop-1-en-2-yl]pent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[(E)-1-(2-methylpiperazin-1-yl)prop-1-en-2-yl]pent-2-en-1-imine
PubChem CID123800549
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(Z)-N-[(E)-1-(2-methylpiperazin-1-yl)prop-1-en-2-yl]pent-2-en-1-imine
SMILESCC/C=C\C=N\C(C)=C\N1CCNCC1C
InChIInChI=1S/C13H23N3/c1-4-5-6-7-15-12(2)11-16-9-8-14-10-13(16)3/h5-7,11,13-14H,4,8-10H2,1-3H3/b6-5-,12-11+,15-7+
InChIKeyGGTAQMWZJARZEF-UMLTUQGVSA-N
XLogP2.18
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (Z)-N-[(E)-1-(2-methylpiperazin-1-yl)prop-1-en-2-yl]pent-2-en-1-imine?
The IUPAC name of (Z)-N-[(E)-1-(2-methylpiperazin-1-yl)prop-1-en-2-yl]pent-2-en-1-imine (CID 123800549) is (Z)-N-[(E)-1-(2-methylpiperazin-1-yl)prop-1-en-2-yl]pent-2-en-1-imine.
What is the SMILES notation for (Z)-N-[(E)-1-(2-methylpiperazin-1-yl)prop-1-en-2-yl]pent-2-en-1-imine?
The canonical SMILES for (Z)-N-[(E)-1-(2-methylpiperazin-1-yl)prop-1-en-2-yl]pent-2-en-1-imine is CC/C=C\C=N\C(C)=C\N1CCNCC1C.
What is the InChIKey of (Z)-N-[(E)-1-(2-methylpiperazin-1-yl)prop-1-en-2-yl]pent-2-en-1-imine?
The InChIKey is GGTAQMWZJARZEF-UMLTUQGVSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-5-6-7-15-12(2)11-16-9-8-14-10-13(16)3/h5-7,11,13-14H,4,8-10H2,1-3H3/b6-5-,12-11+,15-7+.
What are the key properties of (Z)-N-[(E)-1-(2-methylpiperazin-1-yl)prop-1-en-2-yl]pent-2-en-1-imine?
(Z)-N-[(E)-1-(2-methylpiperazin-1-yl)prop-1-en-2-yl]pent-2-en-1-imine has a molecular weight of 221.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-1-(2-methylpiperazin-1-yl)prop-1-en-2-yl]pent-2-en-1-imine is sourced from PubChem (CID 123800549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).