2,4,6-trimethylpiperazine-1-carboximidamide

C8H18N4 — CID 20641639

IUPAC2,4,6-trimethylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1C(C)CN(C)CC1C
InChIInChI=1S/C8H18N4/c1-6-4-11(3)5-7(2)12(6)8(9)10/h6-7H,4-5H2,1-3H3,(H3,9,10)
InChIKeyIHXPZMBGTGWXOB-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.10
Rot. Bonds

About 2,4,6-trimethylpiperazine-1-carboximidamide

2,4,6-trimethylpiperazine-1-carboximidamide (PubChem CID 20641639) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 2,4,6-trimethylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name2,4,6-trimethylpiperazine-1-carboximidamide
PubChem CID20641639
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name2,4,6-trimethylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1C(C)CN(C)CC1C
InChIInChI=1S/C8H18N4/c1-6-4-11(3)5-7(2)12(6)8(9)10/h6-7H,4-5H2,1-3H3,(H3,9,10)
InChIKeyIHXPZMBGTGWXOB-UHFFFAOYSA-N
XLogP-0.10
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
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 2,4,6-trimethylpiperazine-1-carboximidamide?
The IUPAC name of 2,4,6-trimethylpiperazine-1-carboximidamide (CID 20641639) is 2,4,6-trimethylpiperazine-1-carboximidamide.
What is the SMILES notation for 2,4,6-trimethylpiperazine-1-carboximidamide?
The canonical SMILES for 2,4,6-trimethylpiperazine-1-carboximidamide is [H]/N=C(\N)N1C(C)CN(C)CC1C.
What is the InChIKey of 2,4,6-trimethylpiperazine-1-carboximidamide?
The InChIKey is IHXPZMBGTGWXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-6-4-11(3)5-7(2)12(6)8(9)10/h6-7H,4-5H2,1-3H3,(H3,9,10).
What are the key properties of 2,4,6-trimethylpiperazine-1-carboximidamide?
2,4,6-trimethylpiperazine-1-carboximidamide has a molecular weight of 170.26 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylpiperazine-1-carboximidamide is sourced from PubChem (CID 20641639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).