N',4-ditert-butylpiperazine-1-carboximidamide

C13H28N4 — CID 62363220

IUPACN',4-ditert-butylpiperazine-1-carboximidamide
SMILESCC(C)(C)/N=C(\N)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H28N4/c1-12(2,3)15-11(14)16-7-9-17(10-8-16)13(4,5)6/h7-10H2,1-6H3,(H2,14,15)
InChIKeyZDFLGPVWMJDAKQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.52
Rot. Bonds

About N',4-ditert-butylpiperazine-1-carboximidamide

N',4-ditert-butylpiperazine-1-carboximidamide (PubChem CID 62363220) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is N',4-ditert-butylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN',4-ditert-butylpiperazine-1-carboximidamide
PubChem CID62363220
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC NameN',4-ditert-butylpiperazine-1-carboximidamide
SMILESCC(C)(C)/N=C(\N)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H28N4/c1-12(2,3)15-11(14)16-7-9-17(10-8-16)13(4,5)6/h7-10H2,1-6H3,(H2,14,15)
InChIKeyZDFLGPVWMJDAKQ-UHFFFAOYSA-N
XLogP1.52
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.52
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',4-ditert-butylpiperazine-1-carboximidamide?
The IUPAC name of N',4-ditert-butylpiperazine-1-carboximidamide (CID 62363220) is N',4-ditert-butylpiperazine-1-carboximidamide.
What is the SMILES notation for N',4-ditert-butylpiperazine-1-carboximidamide?
The canonical SMILES for N',4-ditert-butylpiperazine-1-carboximidamide is CC(C)(C)/N=C(\N)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of N',4-ditert-butylpiperazine-1-carboximidamide?
The InChIKey is ZDFLGPVWMJDAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-12(2,3)15-11(14)16-7-9-17(10-8-16)13(4,5)6/h7-10H2,1-6H3,(H2,14,15).
What are the key properties of N',4-ditert-butylpiperazine-1-carboximidamide?
N',4-ditert-butylpiperazine-1-carboximidamide has a molecular weight of 240.39 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-ditert-butylpiperazine-1-carboximidamide is sourced from PubChem (CID 62363220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).