3-(3,3,4-trimethylpiperazin-1-yl)butanimidamide

C11H24N4 — CID 63610753

IUPAC3-(3,3,4-trimethylpiperazin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C11H24N4/c1-9(7-10(12)13)15-6-5-14(4)11(2,3)8-15/h9H,5-8H2,1-4H3,(H3,12,13)
InChIKeyJWRTUEXHOOVADT-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.73
Rot. Bonds3

About 3-(3,3,4-trimethylpiperazin-1-yl)butanimidamide

3-(3,3,4-trimethylpiperazin-1-yl)butanimidamide (PubChem CID 63610753) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-(3,3,4-trimethylpiperazin-1-yl)butanimidamide.

Molecular Properties

Compound Name3-(3,3,4-trimethylpiperazin-1-yl)butanimidamide
PubChem CID63610753
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name3-(3,3,4-trimethylpiperazin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C11H24N4/c1-9(7-10(12)13)15-6-5-14(4)11(2,3)8-15/h9H,5-8H2,1-4H3,(H3,12,13)
InChIKeyJWRTUEXHOOVADT-UHFFFAOYSA-N
XLogP0.73
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.73
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 3-(3,3,4-trimethylpiperazin-1-yl)butanimidamide 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 3-(3,3,4-trimethylpiperazin-1-yl)butanimidamide?
The IUPAC name of 3-(3,3,4-trimethylpiperazin-1-yl)butanimidamide (CID 63610753) is 3-(3,3,4-trimethylpiperazin-1-yl)butanimidamide.
What is the SMILES notation for 3-(3,3,4-trimethylpiperazin-1-yl)butanimidamide?
The canonical SMILES for 3-(3,3,4-trimethylpiperazin-1-yl)butanimidamide is [H]/N=C(\N)CC(C)N1CCN(C)C(C)(C)C1.
What is the InChIKey of 3-(3,3,4-trimethylpiperazin-1-yl)butanimidamide?
The InChIKey is JWRTUEXHOOVADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-9(7-10(12)13)15-6-5-14(4)11(2,3)8-15/h9H,5-8H2,1-4H3,(H3,12,13).
What are the key properties of 3-(3,3,4-trimethylpiperazin-1-yl)butanimidamide?
3-(3,3,4-trimethylpiperazin-1-yl)butanimidamide has a molecular weight of 212.34 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,4-trimethylpiperazin-1-yl)butanimidamide is sourced from PubChem (CID 63610753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).