(Z)-N-ethyl-1-(4-methylpiperazin-1-yl)pent-3-en-2-imine

C12H23N3 — CID 142404141

IUPAC(Z)-N-ethyl-1-(4-methylpiperazin-1-yl)pent-3-en-2-imine
SMILESC/C=C\C(CN1CCN(C)CC1)=N/CC
InChIInChI=1S/C12H23N3/c1-4-6-12(13-5-2)11-15-9-7-14(3)8-10-15/h4,6H,5,7-11H2,1-3H3/b6-4-,13-12+
InChIKeyQPYSHQGHOLQFBR-HRGAPMFUSA-N
MW209.34 g/mol
LogP1.27
Rot. Bonds4

About (Z)-N-ethyl-1-(4-methylpiperazin-1-yl)pent-3-en-2-imine

(Z)-N-ethyl-1-(4-methylpiperazin-1-yl)pent-3-en-2-imine (PubChem CID 142404141) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (Z)-N-ethyl-1-(4-methylpiperazin-1-yl)pent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-ethyl-1-(4-methylpiperazin-1-yl)pent-3-en-2-imine
PubChem CID142404141
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(Z)-N-ethyl-1-(4-methylpiperazin-1-yl)pent-3-en-2-imine
SMILESC/C=C\C(CN1CCN(C)CC1)=N/CC
InChIInChI=1S/C12H23N3/c1-4-6-12(13-5-2)11-15-9-7-14(3)8-10-15/h4,6H,5,7-11H2,1-3H3/b6-4-,13-12+
InChIKeyQPYSHQGHOLQFBR-HRGAPMFUSA-N
XLogP1.27
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.27
H-Bond Donors ≤ 50
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-ethyl-1-(4-methylpiperazin-1-yl)pent-3-en-2-imine?
The IUPAC name of (Z)-N-ethyl-1-(4-methylpiperazin-1-yl)pent-3-en-2-imine (CID 142404141) is (Z)-N-ethyl-1-(4-methylpiperazin-1-yl)pent-3-en-2-imine.
What is the SMILES notation for (Z)-N-ethyl-1-(4-methylpiperazin-1-yl)pent-3-en-2-imine?
The canonical SMILES for (Z)-N-ethyl-1-(4-methylpiperazin-1-yl)pent-3-en-2-imine is C/C=C\C(CN1CCN(C)CC1)=N/CC.
What is the InChIKey of (Z)-N-ethyl-1-(4-methylpiperazin-1-yl)pent-3-en-2-imine?
The InChIKey is QPYSHQGHOLQFBR-HRGAPMFUSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-6-12(13-5-2)11-15-9-7-14(3)8-10-15/h4,6H,5,7-11H2,1-3H3/b6-4-,13-12+.
What are the key properties of (Z)-N-ethyl-1-(4-methylpiperazin-1-yl)pent-3-en-2-imine?
(Z)-N-ethyl-1-(4-methylpiperazin-1-yl)pent-3-en-2-imine has a molecular weight of 209.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-1-(4-methylpiperazin-1-yl)pent-3-en-2-imine is sourced from PubChem (CID 142404141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).