2-(3,4-dimethylpiperazin-1-yl)ethanimidamide

C8H18N4 — CID 63610747

IUPAC2-(3,4-dimethylpiperazin-1-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CCN(C)C(C)C1
InChIInChI=1S/C8H18N4/c1-7-5-12(6-8(9)10)4-3-11(7)2/h7H,3-6H2,1-2H3,(H3,9,10)
InChIKeyMXFUHICTFNIHBS-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.44
Rot. Bonds2

About 2-(3,4-dimethylpiperazin-1-yl)ethanimidamide

2-(3,4-dimethylpiperazin-1-yl)ethanimidamide (PubChem CID 63610747) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazin-1-yl)ethanimidamide.

Molecular Properties

Compound Name2-(3,4-dimethylpiperazin-1-yl)ethanimidamide
PubChem CID63610747
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name2-(3,4-dimethylpiperazin-1-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CCN(C)C(C)C1
InChIInChI=1S/C8H18N4/c1-7-5-12(6-8(9)10)4-3-11(7)2/h7H,3-6H2,1-2H3,(H3,9,10)
InChIKeyMXFUHICTFNIHBS-UHFFFAOYSA-N
XLogP-0.44
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.44
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 2-(3,4-dimethylpiperazin-1-yl)ethanimidamide 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 2-(3,4-dimethylpiperazin-1-yl)ethanimidamide?
The IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)ethanimidamide (CID 63610747) is 2-(3,4-dimethylpiperazin-1-yl)ethanimidamide.
What is the SMILES notation for 2-(3,4-dimethylpiperazin-1-yl)ethanimidamide?
The canonical SMILES for 2-(3,4-dimethylpiperazin-1-yl)ethanimidamide is [H]/N=C(\N)CN1CCN(C)C(C)C1.
What is the InChIKey of 2-(3,4-dimethylpiperazin-1-yl)ethanimidamide?
The InChIKey is MXFUHICTFNIHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-7-5-12(6-8(9)10)4-3-11(7)2/h7H,3-6H2,1-2H3,(H3,9,10).
What are the key properties of 2-(3,4-dimethylpiperazin-1-yl)ethanimidamide?
2-(3,4-dimethylpiperazin-1-yl)ethanimidamide has a molecular weight of 170.26 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperazin-1-yl)ethanimidamide is sourced from PubChem (CID 63610747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).