N',4,4-trimethylpiperazin-4-ium-1-carboximidamide

C8H19N4+ — CID 22977256

IUPACN',4,4-trimethylpiperazin-4-ium-1-carboximidamide
SMILESC/N=C(\N)N1CC[N+](C)(C)CC1
InChIInChI=1S/C8H19N4/c1-10-8(9)11-4-6-12(2,3)7-5-11/h4-7H2,1-3H3,(H2,9,10)/q+1
InChIKeyNUOXEIBOAIMAEO-UHFFFAOYSA-N
MW171.27 g/mol
LogP-0.68
Rot. Bonds

About N',4,4-trimethylpiperazin-4-ium-1-carboximidamide

N',4,4-trimethylpiperazin-4-ium-1-carboximidamide (PubChem CID 22977256) has the molecular formula C8H19N4+ and a molecular weight of 171.27 g/mol. Its IUPAC name is N',4,4-trimethylpiperazin-4-ium-1-carboximidamide.

Molecular Properties

Compound NameN',4,4-trimethylpiperazin-4-ium-1-carboximidamide
PubChem CID22977256
Molecular FormulaC8H19N4+
Molecular Weight171.27 g/mol
Exact Mass171.16
IUPAC NameN',4,4-trimethylpiperazin-4-ium-1-carboximidamide
SMILESC/N=C(\N)N1CC[N+](C)(C)CC1
InChIInChI=1S/C8H19N4/c1-10-8(9)11-4-6-12(2,3)7-5-11/h4-7H2,1-3H3,(H2,9,10)/q+1
InChIKeyNUOXEIBOAIMAEO-UHFFFAOYSA-N
XLogP-0.68
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',4,4-trimethylpiperazin-4-ium-1-carboximidamide?
The IUPAC name of N',4,4-trimethylpiperazin-4-ium-1-carboximidamide (CID 22977256) is N',4,4-trimethylpiperazin-4-ium-1-carboximidamide.
What is the SMILES notation for N',4,4-trimethylpiperazin-4-ium-1-carboximidamide?
The canonical SMILES for N',4,4-trimethylpiperazin-4-ium-1-carboximidamide is C/N=C(\N)N1CC[N+](C)(C)CC1.
What is the InChIKey of N',4,4-trimethylpiperazin-4-ium-1-carboximidamide?
The InChIKey is NUOXEIBOAIMAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N4/c1-10-8(9)11-4-6-12(2,3)7-5-11/h4-7H2,1-3H3,(H2,9,10)/q+1.
What are the key properties of N',4,4-trimethylpiperazin-4-ium-1-carboximidamide?
N',4,4-trimethylpiperazin-4-ium-1-carboximidamide has a molecular weight of 171.27 g/mol, XLogP of -0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',4,4-trimethylpiperazin-4-ium-1-carboximidamide is sourced from PubChem (CID 22977256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).