4-tert-butylpiperazine-1-carboximidamide

C9H20N4 — CID 61432933

IUPAC4-tert-butylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C9H20N4/c1-9(2,3)13-6-4-12(5-7-13)8(10)11/h4-7H2,1-3H3,(H3,10,11)
InChIKeyXHPCQQIZEVAJSG-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.30
Rot. Bonds

About 4-tert-butylpiperazine-1-carboximidamide

4-tert-butylpiperazine-1-carboximidamide (PubChem CID 61432933) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 4-tert-butylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-tert-butylpiperazine-1-carboximidamide
PubChem CID61432933
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name4-tert-butylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C9H20N4/c1-9(2,3)13-6-4-12(5-7-13)8(10)11/h4-7H2,1-3H3,(H3,10,11)
InChIKeyXHPCQQIZEVAJSG-UHFFFAOYSA-N
XLogP0.30
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-tert-butylpiperazine-1-carboximidamide?
The IUPAC name of 4-tert-butylpiperazine-1-carboximidamide (CID 61432933) is 4-tert-butylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-tert-butylpiperazine-1-carboximidamide?
The canonical SMILES for 4-tert-butylpiperazine-1-carboximidamide is [H]/N=C(\N)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butylpiperazine-1-carboximidamide?
The InChIKey is XHPCQQIZEVAJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-9(2,3)13-6-4-12(5-7-13)8(10)11/h4-7H2,1-3H3,(H3,10,11).
What are the key properties of 4-tert-butylpiperazine-1-carboximidamide?
4-tert-butylpiperazine-1-carboximidamide has a molecular weight of 184.29 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylpiperazine-1-carboximidamide is sourced from PubChem (CID 61432933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).