N'-(2-piperazin-1-ylethyl)methanimidamide

C7H16N4 — CID 142168666

IUPACN'-(2-piperazin-1-ylethyl)methanimidamide
SMILESN/C=N/CCN1CCNCC1
InChIInChI=1S/C7H16N4/c8-7-10-3-6-11-4-1-9-2-5-11/h7,9H,1-6H2,(H2,8,10)
InChIKeyQMUDUJFQTXIWPX-UHFFFAOYSA-N
MW156.23 g/mol
LogP-1.12
Rot. Bonds3

About N'-(2-piperazin-1-ylethyl)methanimidamide

N'-(2-piperazin-1-ylethyl)methanimidamide (PubChem CID 142168666) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is N'-(2-piperazin-1-ylethyl)methanimidamide.

Molecular Properties

Compound NameN'-(2-piperazin-1-ylethyl)methanimidamide
PubChem CID142168666
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC NameN'-(2-piperazin-1-ylethyl)methanimidamide
SMILESN/C=N/CCN1CCNCC1
InChIInChI=1S/C7H16N4/c8-7-10-3-6-11-4-1-9-2-5-11/h7,9H,1-6H2,(H2,8,10)
InChIKeyQMUDUJFQTXIWPX-UHFFFAOYSA-N
XLogP-1.12
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(2-piperazin-1-ylethyl)methanimidamide 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 N'-(2-piperazin-1-ylethyl)methanimidamide?
The IUPAC name of N'-(2-piperazin-1-ylethyl)methanimidamide (CID 142168666) is N'-(2-piperazin-1-ylethyl)methanimidamide.
What is the SMILES notation for N'-(2-piperazin-1-ylethyl)methanimidamide?
The canonical SMILES for N'-(2-piperazin-1-ylethyl)methanimidamide is N/C=N/CCN1CCNCC1.
What is the InChIKey of N'-(2-piperazin-1-ylethyl)methanimidamide?
The InChIKey is QMUDUJFQTXIWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4/c8-7-10-3-6-11-4-1-9-2-5-11/h7,9H,1-6H2,(H2,8,10).
What are the key properties of N'-(2-piperazin-1-ylethyl)methanimidamide?
N'-(2-piperazin-1-ylethyl)methanimidamide has a molecular weight of 156.23 g/mol, XLogP of -1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-piperazin-1-ylethyl)methanimidamide is sourced from PubChem (CID 142168666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).