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

C11H24N4 — CID 63610574

IUPAC4-(3,3,4-trimethylpiperazin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCN(C)C(C)(C)C1
InChIInChI=1S/C11H24N4/c1-11(2)9-15(8-7-14(11)3)6-4-5-10(12)13/h4-9H2,1-3H3,(H3,12,13)
InChIKeyCFMRXGQXEZDJHX-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.73
Rot. Bonds4

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

4-(3,3,4-trimethylpiperazin-1-yl)butanimidamide (PubChem CID 63610574) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-(3,3,4-trimethylpiperazin-1-yl)butanimidamide.

Molecular Properties

Compound Name4-(3,3,4-trimethylpiperazin-1-yl)butanimidamide
PubChem CID63610574
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name4-(3,3,4-trimethylpiperazin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCN(C)C(C)(C)C1
InChIInChI=1S/C11H24N4/c1-11(2)9-15(8-7-14(11)3)6-4-5-10(12)13/h4-9H2,1-3H3,(H3,12,13)
InChIKeyCFMRXGQXEZDJHX-UHFFFAOYSA-N
XLogP0.73
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3,4-trimethylpiperazin-1-yl)butanimidamide?
The IUPAC name of 4-(3,3,4-trimethylpiperazin-1-yl)butanimidamide (CID 63610574) is 4-(3,3,4-trimethylpiperazin-1-yl)butanimidamide.
What is the SMILES notation for 4-(3,3,4-trimethylpiperazin-1-yl)butanimidamide?
The canonical SMILES for 4-(3,3,4-trimethylpiperazin-1-yl)butanimidamide is [H]/N=C(\N)CCCN1CCN(C)C(C)(C)C1.
What is the InChIKey of 4-(3,3,4-trimethylpiperazin-1-yl)butanimidamide?
The InChIKey is CFMRXGQXEZDJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-11(2)9-15(8-7-14(11)3)6-4-5-10(12)13/h4-9H2,1-3H3,(H3,12,13).
What are the key properties of 4-(3,3,4-trimethylpiperazin-1-yl)butanimidamide?
4-(3,3,4-trimethylpiperazin-1-yl)butanimidamide has a molecular weight of 212.34 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,4-trimethylpiperazin-1-yl)butanimidamide is sourced from PubChem (CID 63610574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).