(Z)-N-(4-prop-2-ynylpiperazin-1-yl)ethanimine

C9H15N3 — CID 90942989

IUPAC(Z)-N-(4-prop-2-ynylpiperazin-1-yl)ethanimine
SMILESC#CCN1CCN(/N=C\C)CC1
InChIInChI=1S/C9H15N3/c1-3-5-11-6-8-12(9-7-11)10-4-2/h1,4H,5-9H2,2H3/b10-4-
InChIKeyTUVUXYYNNCWLMO-WMZJFQQLSA-N
MW165.24 g/mol
LogP0.24
Rot. Bonds2

About (Z)-N-(4-prop-2-ynylpiperazin-1-yl)ethanimine

(Z)-N-(4-prop-2-ynylpiperazin-1-yl)ethanimine (PubChem CID 90942989) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (Z)-N-(4-prop-2-ynylpiperazin-1-yl)ethanimine.

Molecular Properties

Compound Name(Z)-N-(4-prop-2-ynylpiperazin-1-yl)ethanimine
PubChem CID90942989
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(Z)-N-(4-prop-2-ynylpiperazin-1-yl)ethanimine
SMILESC#CCN1CCN(/N=C\C)CC1
InChIInChI=1S/C9H15N3/c1-3-5-11-6-8-12(9-7-11)10-4-2/h1,4H,5-9H2,2H3/b10-4-
InChIKeyTUVUXYYNNCWLMO-WMZJFQQLSA-N
XLogP0.24
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-N-(4-prop-2-ynylpiperazin-1-yl)ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-prop-2-ynylpiperazin-1-yl)ethanimine?
The IUPAC name of (Z)-N-(4-prop-2-ynylpiperazin-1-yl)ethanimine (CID 90942989) is (Z)-N-(4-prop-2-ynylpiperazin-1-yl)ethanimine.
What is the SMILES notation for (Z)-N-(4-prop-2-ynylpiperazin-1-yl)ethanimine?
The canonical SMILES for (Z)-N-(4-prop-2-ynylpiperazin-1-yl)ethanimine is C#CCN1CCN(/N=C\C)CC1.
What is the InChIKey of (Z)-N-(4-prop-2-ynylpiperazin-1-yl)ethanimine?
The InChIKey is TUVUXYYNNCWLMO-WMZJFQQLSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-5-11-6-8-12(9-7-11)10-4-2/h1,4H,5-9H2,2H3/b10-4-.
What are the key properties of (Z)-N-(4-prop-2-ynylpiperazin-1-yl)ethanimine?
(Z)-N-(4-prop-2-ynylpiperazin-1-yl)ethanimine has a molecular weight of 165.24 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-prop-2-ynylpiperazin-1-yl)ethanimine is sourced from PubChem (CID 90942989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).