N'-tert-butyl-2-(1,4-dimethylpiperazin-2-yl)ethanimidamide

C12H26N4 — CID 115415891

IUPACN'-tert-butyl-2-(1,4-dimethylpiperazin-2-yl)ethanimidamide
SMILESCN1CCN(C)C(C/C(N)=N/C(C)(C)C)C1
InChIInChI=1S/C12H26N4/c1-12(2,3)14-11(13)8-10-9-15(4)6-7-16(10)5/h10H,6-9H2,1-5H3,(H2,13,14)
InChIKeyDPILTQNDHRHKLQ-UHFFFAOYSA-N
MW226.37 g/mol
LogP0.78
Rot. Bonds2

About N'-tert-butyl-2-(1,4-dimethylpiperazin-2-yl)ethanimidamide

N'-tert-butyl-2-(1,4-dimethylpiperazin-2-yl)ethanimidamide (PubChem CID 115415891) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is N'-tert-butyl-2-(1,4-dimethylpiperazin-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-tert-butyl-2-(1,4-dimethylpiperazin-2-yl)ethanimidamide
PubChem CID115415891
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC NameN'-tert-butyl-2-(1,4-dimethylpiperazin-2-yl)ethanimidamide
SMILESCN1CCN(C)C(C/C(N)=N/C(C)(C)C)C1
InChIInChI=1S/C12H26N4/c1-12(2,3)14-11(13)8-10-9-15(4)6-7-16(10)5/h10H,6-9H2,1-5H3,(H2,13,14)
InChIKeyDPILTQNDHRHKLQ-UHFFFAOYSA-N
XLogP0.78
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

ethyl 2-(1,4-dimethylpiperazin-2-yl)acetate;dihydrochloride
CID 90485290
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 63898158
N'-tert-butyl-4-methylpiperazine-1-carboximidamide
CID 62361022
2-[1-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071018
3-[(1,4-dimethylpiperazin-2-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77029960
1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanone
CID 115414611
1-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-2-one
CID 115414648
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide
CID 154789742
1-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]guanidine;hydroiodide
CID 119147592
N'-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-4-carboximidamide
CID 119147573
2-(2-chloroethyl)-1,4-dimethylpiperazine
CID 178030673

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-2-(1,4-dimethylpiperazin-2-yl)ethanimidamide?
The IUPAC name of N'-tert-butyl-2-(1,4-dimethylpiperazin-2-yl)ethanimidamide (CID 115415891) is N'-tert-butyl-2-(1,4-dimethylpiperazin-2-yl)ethanimidamide.
What is the SMILES notation for N'-tert-butyl-2-(1,4-dimethylpiperazin-2-yl)ethanimidamide?
The canonical SMILES for N'-tert-butyl-2-(1,4-dimethylpiperazin-2-yl)ethanimidamide is CN1CCN(C)C(C/C(N)=N/C(C)(C)C)C1.
What is the InChIKey of N'-tert-butyl-2-(1,4-dimethylpiperazin-2-yl)ethanimidamide?
The InChIKey is DPILTQNDHRHKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-12(2,3)14-11(13)8-10-9-15(4)6-7-16(10)5/h10H,6-9H2,1-5H3,(H2,13,14).
What are the key properties of N'-tert-butyl-2-(1,4-dimethylpiperazin-2-yl)ethanimidamide?
N'-tert-butyl-2-(1,4-dimethylpiperazin-2-yl)ethanimidamide has a molecular weight of 226.37 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2-(1,4-dimethylpiperazin-2-yl)ethanimidamide is sourced from PubChem (CID 115415891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).