N,N,N'-trimethylpiperazine-1-carboximidamide

C8H18N4 — CID 22957306

IUPACN,N,N'-trimethylpiperazine-1-carboximidamide
SMILESC/N=C(\N(C)C)N1CCNCC1
InChIInChI=1S/C8H18N4/c1-9-8(11(2)3)12-6-4-10-5-7-12/h10H,4-7H2,1-3H3/b9-8+
InChIKeyXVRIDEZWMASKDG-CMDGGOBGSA-N
MW170.26 g/mol
LogP-0.56
Rot. Bonds

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

N,N,N'-trimethylpiperazine-1-carboximidamide (PubChem CID 22957306) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is N,N,N'-trimethylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN,N,N'-trimethylpiperazine-1-carboximidamide
PubChem CID22957306
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC NameN,N,N'-trimethylpiperazine-1-carboximidamide
SMILESC/N=C(\N(C)C)N1CCNCC1
InChIInChI=1S/C8H18N4/c1-9-8(11(2)3)12-6-4-10-5-7-12/h10H,4-7H2,1-3H3/b9-8+
InChIKeyXVRIDEZWMASKDG-CMDGGOBGSA-N
XLogP-0.56
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
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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Related Compounds

1,3-Diethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]guanidine
CID 53604504
1,2-Ethanediamine, N-[1-(1-piperazinyl)ethyl]-
CID 188856
1-(5-Fluoro-1-methyl-4,5-dihydroimidazol-2-yl)piperazine
CID 169833329
N'-(2-aminoethyl)-4-methylpiperazine-1-carboximidamide
CID 91599877
1-N,1-N',4-N,4-N'-tetra(propan-2-yl)piperazine-1,4-dicarboximidamide
CID 101405087
[[2-[Bis(dimethylamino)methylideneamino]ethylamino]-(dimethylamino)methylidene]-dimethylazanium
CID 123835509
Tetramethylguanidino-tris(2-aminoethyl)amine
CID 129851468
N'-[2-[1-[4-(1-aminoethyl)piperazin-1-yl]ethylamino]ethyl]ethane-1,2-diamine
CID 90471447
N,N'-diethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376409
N-ethyl-N'-propyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376455
N'-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376663
N-ethyl-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376689

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethylpiperazine-1-carboximidamide?
The IUPAC name of N,N,N'-trimethylpiperazine-1-carboximidamide (CID 22957306) is N,N,N'-trimethylpiperazine-1-carboximidamide.
What is the SMILES notation for N,N,N'-trimethylpiperazine-1-carboximidamide?
The canonical SMILES for N,N,N'-trimethylpiperazine-1-carboximidamide is C/N=C(\N(C)C)N1CCNCC1.
What is the InChIKey of N,N,N'-trimethylpiperazine-1-carboximidamide?
The InChIKey is XVRIDEZWMASKDG-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H18N4/c1-9-8(11(2)3)12-6-4-10-5-7-12/h10H,4-7H2,1-3H3/b9-8+.
What are the key properties of N,N,N'-trimethylpiperazine-1-carboximidamide?
N,N,N'-trimethylpiperazine-1-carboximidamide has a molecular weight of 170.26 g/mol, XLogP of -0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethylpiperazine-1-carboximidamide is sourced from PubChem (CID 22957306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).