3-tert-butylimidazole-4-carboximidamide

C8H14N4 — CID 83873560

IUPAC3-tert-butylimidazole-4-carboximidamide
SMILES[H]/N=C(\N)c1cncn1C(C)(C)C
InChIInChI=1S/C8H14N4/c1-8(2,3)12-5-11-4-6(12)7(9)10/h4-5H,1-3H3,(H3,9,10)
InChIKeyBSVKPTRTCFDHMH-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.92
Rot. Bonds1

About 3-tert-butylimidazole-4-carboximidamide

3-tert-butylimidazole-4-carboximidamide (PubChem CID 83873560) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 3-tert-butylimidazole-4-carboximidamide.

Molecular Properties

Compound Name3-tert-butylimidazole-4-carboximidamide
PubChem CID83873560
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name3-tert-butylimidazole-4-carboximidamide
SMILES[H]/N=C(\N)c1cncn1C(C)(C)C
InChIInChI=1S/C8H14N4/c1-8(2,3)12-5-11-4-6(12)7(9)10/h4-5H,1-3H3,(H3,9,10)
InChIKeyBSVKPTRTCFDHMH-UHFFFAOYSA-N
XLogP0.92
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.92
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 3-tert-butylimidazole-4-carboximidamide?
The IUPAC name of 3-tert-butylimidazole-4-carboximidamide (CID 83873560) is 3-tert-butylimidazole-4-carboximidamide.
What is the SMILES notation for 3-tert-butylimidazole-4-carboximidamide?
The canonical SMILES for 3-tert-butylimidazole-4-carboximidamide is [H]/N=C(\N)c1cncn1C(C)(C)C.
What is the InChIKey of 3-tert-butylimidazole-4-carboximidamide?
The InChIKey is BSVKPTRTCFDHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-8(2,3)12-5-11-4-6(12)7(9)10/h4-5H,1-3H3,(H3,9,10).
What are the key properties of 3-tert-butylimidazole-4-carboximidamide?
3-tert-butylimidazole-4-carboximidamide has a molecular weight of 166.23 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylimidazole-4-carboximidamide is sourced from PubChem (CID 83873560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).