N'-[2-(4-tert-butylpiperazin-1-yl)ethyl]ethanimidamide

C12H26N4 — CID 174196545

IUPACN'-[2-(4-tert-butylpiperazin-1-yl)ethyl]ethanimidamide
SMILESC/C(N)=N\CCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H26N4/c1-11(13)14-5-6-15-7-9-16(10-8-15)12(2,3)4/h5-10H2,1-4H3,(H2,13,14)
InChIKeyGGZGUZJUTACKCL-UHFFFAOYSA-N
MW226.37 g/mol
LogP0.78
Rot. Bonds3

About N'-[2-(4-tert-butylpiperazin-1-yl)ethyl]ethanimidamide

N'-[2-(4-tert-butylpiperazin-1-yl)ethyl]ethanimidamide (PubChem CID 174196545) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is N'-[2-(4-tert-butylpiperazin-1-yl)ethyl]ethanimidamide.

Molecular Properties

Compound NameN'-[2-(4-tert-butylpiperazin-1-yl)ethyl]ethanimidamide
PubChem CID174196545
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC NameN'-[2-(4-tert-butylpiperazin-1-yl)ethyl]ethanimidamide
SMILESC/C(N)=N\CCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H26N4/c1-11(13)14-5-6-15-7-9-16(10-8-15)12(2,3)4/h5-10H2,1-4H3,(H2,13,14)
InChIKeyGGZGUZJUTACKCL-UHFFFAOYSA-N
XLogP0.78
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
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 N'-[2-(4-tert-butylpiperazin-1-yl)ethyl]ethanimidamide?
The IUPAC name of N'-[2-(4-tert-butylpiperazin-1-yl)ethyl]ethanimidamide (CID 174196545) is N'-[2-(4-tert-butylpiperazin-1-yl)ethyl]ethanimidamide.
What is the SMILES notation for N'-[2-(4-tert-butylpiperazin-1-yl)ethyl]ethanimidamide?
The canonical SMILES for N'-[2-(4-tert-butylpiperazin-1-yl)ethyl]ethanimidamide is C/C(N)=N\CCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of N'-[2-(4-tert-butylpiperazin-1-yl)ethyl]ethanimidamide?
The InChIKey is GGZGUZJUTACKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-11(13)14-5-6-15-7-9-16(10-8-15)12(2,3)4/h5-10H2,1-4H3,(H2,13,14).
What are the key properties of N'-[2-(4-tert-butylpiperazin-1-yl)ethyl]ethanimidamide?
N'-[2-(4-tert-butylpiperazin-1-yl)ethyl]ethanimidamide has a molecular weight of 226.37 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-tert-butylpiperazin-1-yl)ethyl]ethanimidamide is sourced from PubChem (CID 174196545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).