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

C11H24N4 — CID 62363003

IUPAC4-tert-butyl-N'-ethylpiperazine-1-carboximidamide
SMILESCC/N=C(\N)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H24N4/c1-5-13-10(12)14-6-8-15(9-7-14)11(2,3)4/h5-9H2,1-4H3,(H2,12,13)
InChIKeySXAJZMGNSZZLBD-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.74
Rot. Bonds1

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

4-tert-butyl-N'-ethylpiperazine-1-carboximidamide (PubChem CID 62363003) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-tert-butyl-N'-ethylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-tert-butyl-N'-ethylpiperazine-1-carboximidamide
PubChem CID62363003
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name4-tert-butyl-N'-ethylpiperazine-1-carboximidamide
SMILESCC/N=C(\N)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H24N4/c1-5-13-10(12)14-6-8-15(9-7-14)11(2,3)4/h5-9H2,1-4H3,(H2,12,13)
InChIKeySXAJZMGNSZZLBD-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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Related Compounds

1-Piperazinecarboximidamide, N-cyano-N'-(1,1-dimethylethyl)-4-methyl-
CID 3050793
N'-(2-aminoethyl)-4-methylpiperazine-1-carboximidamide
CID 91599877
N'-tert-butyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 62967568
4-(Propan-2-yl)piperazine-1-carboximidamide
CID 2759510
N-[amino(imino)methyl]-4-methylpiperazine-1-carboximidamide
CID 10285845
N'-ethyl-4-methylpiperazine-1-carboximidamide
CID 20641654
N',4,4-trimethylpiperazin-4-ium-1-carboximidamide
CID 22977256
N',4-dimethylpiperazine-1-carboximidamide
CID 22977257
N'-propylpiperazine-1-carboximidamide
CID 54213238
N'-propan-2-ylpiperazine-1-carboximidamide
CID 54317721
N-(diaminomethylidene)-4-(2,2-dimethylpropyl)piperazine-1-carboximidamide
CID 57774145
4-methyl-N'-propan-2-ylpiperazine-1-carboximidamide
CID 57837430

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N'-ethylpiperazine-1-carboximidamide?
The IUPAC name of 4-tert-butyl-N'-ethylpiperazine-1-carboximidamide (CID 62363003) is 4-tert-butyl-N'-ethylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-tert-butyl-N'-ethylpiperazine-1-carboximidamide?
The canonical SMILES for 4-tert-butyl-N'-ethylpiperazine-1-carboximidamide is CC/N=C(\N)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N'-ethylpiperazine-1-carboximidamide?
The InChIKey is SXAJZMGNSZZLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-5-13-10(12)14-6-8-15(9-7-14)11(2,3)4/h5-9H2,1-4H3,(H2,12,13).
What are the key properties of 4-tert-butyl-N'-ethylpiperazine-1-carboximidamide?
4-tert-butyl-N'-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 4-tert-butyl-N'-ethylpiperazine-1-carboximidamide is sourced from PubChem (CID 62363003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).