N',1,4-trimethylpiperazine-2-carboximidamide

C8H18N4 — CID 79666896

IUPACN',1,4-trimethylpiperazine-2-carboximidamide
SMILESC/N=C(\N)C1CN(C)CCN1C
InChIInChI=1S/C8H18N4/c1-10-8(9)7-6-11(2)4-5-12(7)3/h7H,4-6H2,1-3H3,(H2,9,10)
InChIKeyPOUPSKAIHVJCCE-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.78
Rot. Bonds1

About N',1,4-trimethylpiperazine-2-carboximidamide

N',1,4-trimethylpiperazine-2-carboximidamide (PubChem CID 79666896) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is N',1,4-trimethylpiperazine-2-carboximidamide.

Molecular Properties

Compound NameN',1,4-trimethylpiperazine-2-carboximidamide
PubChem CID79666896
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC NameN',1,4-trimethylpiperazine-2-carboximidamide
SMILESC/N=C(\N)C1CN(C)CCN1C
InChIInChI=1S/C8H18N4/c1-10-8(9)7-6-11(2)4-5-12(7)3/h7H,4-6H2,1-3H3,(H2,9,10)
InChIKeyPOUPSKAIHVJCCE-UHFFFAOYSA-N
XLogP-0.78
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.78
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',1,4-trimethylpiperazine-2-carboximidamide?
The IUPAC name of N',1,4-trimethylpiperazine-2-carboximidamide (CID 79666896) is N',1,4-trimethylpiperazine-2-carboximidamide.
What is the SMILES notation for N',1,4-trimethylpiperazine-2-carboximidamide?
The canonical SMILES for N',1,4-trimethylpiperazine-2-carboximidamide is C/N=C(\N)C1CN(C)CCN1C.
What is the InChIKey of N',1,4-trimethylpiperazine-2-carboximidamide?
The InChIKey is POUPSKAIHVJCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-10-8(9)7-6-11(2)4-5-12(7)3/h7H,4-6H2,1-3H3,(H2,9,10).
What are the key properties of N',1,4-trimethylpiperazine-2-carboximidamide?
N',1,4-trimethylpiperazine-2-carboximidamide has a molecular weight of 170.26 g/mol, XLogP of -0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',1,4-trimethylpiperazine-2-carboximidamide is sourced from PubChem (CID 79666896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).