N'-tert-butyl-4-ethylpiperazine-1-carboximidamide

C11H24N4 — CID 62360647

IUPACN'-tert-butyl-4-ethylpiperazine-1-carboximidamide
SMILESCCN1CCN(/C(N)=N/C(C)(C)C)CC1
InChIInChI=1S/C11H24N4/c1-5-14-6-8-15(9-7-14)10(12)13-11(2,3)4/h5-9H2,1-4H3,(H2,12,13)
InChIKeyWURNDCXOTOZGFH-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.74
Rot. Bonds1

About N'-tert-butyl-4-ethylpiperazine-1-carboximidamide

N'-tert-butyl-4-ethylpiperazine-1-carboximidamide (PubChem CID 62360647) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is N'-tert-butyl-4-ethylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-4-ethylpiperazine-1-carboximidamide
PubChem CID62360647
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC NameN'-tert-butyl-4-ethylpiperazine-1-carboximidamide
SMILESCCN1CCN(/C(N)=N/C(C)(C)C)CC1
InChIInChI=1S/C11H24N4/c1-5-14-6-8-15(9-7-14)10(12)13-11(2,3)4/h5-9H2,1-4H3,(H2,12,13)
InChIKeyWURNDCXOTOZGFH-UHFFFAOYSA-N
XLogP0.74
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
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 N'-tert-butyl-4-ethylpiperazine-1-carboximidamide?
The IUPAC name of N'-tert-butyl-4-ethylpiperazine-1-carboximidamide (CID 62360647) is N'-tert-butyl-4-ethylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-tert-butyl-4-ethylpiperazine-1-carboximidamide?
The canonical SMILES for N'-tert-butyl-4-ethylpiperazine-1-carboximidamide is CCN1CCN(/C(N)=N/C(C)(C)C)CC1.
What is the InChIKey of N'-tert-butyl-4-ethylpiperazine-1-carboximidamide?
The InChIKey is WURNDCXOTOZGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-5-14-6-8-15(9-7-14)10(12)13-11(2,3)4/h5-9H2,1-4H3,(H2,12,13).
What are the key properties of N'-tert-butyl-4-ethylpiperazine-1-carboximidamide?
N'-tert-butyl-4-ethylpiperazine-1-carboximidamide has a molecular weight of 212.34 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-4-ethylpiperazine-1-carboximidamide is sourced from PubChem (CID 62360647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).