N'-carbamimidoyl-4-methylpiperazine-1-carboximidamide;dihydrochloride

C7H18Cl2N6 — CID 176519436

IUPACN'-carbamimidoyl-4-methylpiperazine-1-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)N=C(N)N1CCN(C)CC1
InChIInChI=1S/C7H16N6.2ClH/c1-12-2-4-13(5-3-12)7(10)11-6(8)9;;/h2-5H2,1H3,(H5,8,9,10,11);2*1H
InChIKeyQJYSUWVNNKZHDV-UHFFFAOYSA-N
MW257.17 g/mol
LogP-0.71
Rot. Bonds

About N'-carbamimidoyl-4-methylpiperazine-1-carboximidamide;dihydrochloride

N'-carbamimidoyl-4-methylpiperazine-1-carboximidamide;dihydrochloride (PubChem CID 176519436) has the molecular formula C7H18Cl2N6 and a molecular weight of 257.17 g/mol. Its IUPAC name is N'-carbamimidoyl-4-methylpiperazine-1-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-carbamimidoyl-4-methylpiperazine-1-carboximidamide;dihydrochloride
PubChem CID176519436
Molecular FormulaC7H18Cl2N6
Molecular Weight257.17 g/mol
Exact Mass256.10
IUPAC NameN'-carbamimidoyl-4-methylpiperazine-1-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)N=C(N)N1CCN(C)CC1
InChIInChI=1S/C7H16N6.2ClH/c1-12-2-4-13(5-3-12)7(10)11-6(8)9;;/h2-5H2,1H3,(H5,8,9,10,11);2*1H
InChIKeyQJYSUWVNNKZHDV-UHFFFAOYSA-N
XLogP-0.71
TPSA94.73 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
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

4-Methylpiperazine-1-carboximidamide
CID 2760028
1-Piperazinecarboxamidine, 4-(2-(diethylamino)ethyl)-
CID 3069720
1-[Amino(4-methylpiperazin-1-yl)methylidene]guanidine dihydrochloride
CID 12256110
N'-carbamimidoyl-4-methylpiperazine-1-carboximidamide;dihydrochloride
CID 176530095
4-Ethylpiperazine-1-carboximidamide
CID 4885940
N'-(2-aminoethyl)-4-methylpiperazine-1-carboximidamide
CID 91599877
N-[amino(imino)methyl]-4-methylpiperazine-1-carboximidamide
CID 10285845
4-Methylpiperazine-1-carboximidamide hydroiodide
CID 20284359
N'-ethyl-4-methylpiperazine-1-carboximidamide
CID 20641654
N'-cyano-4-methylpiperazine-1-carboximidamide
CID 21492869
N',4,4-trimethylpiperazin-4-ium-1-carboximidamide
CID 22977256
N',4-dimethylpiperazine-1-carboximidamide
CID 22977257

Frequently Asked Questions

What is the IUPAC name of N'-carbamimidoyl-4-methylpiperazine-1-carboximidamide;dihydrochloride?
The IUPAC name of N'-carbamimidoyl-4-methylpiperazine-1-carboximidamide;dihydrochloride (CID 176519436) is N'-carbamimidoyl-4-methylpiperazine-1-carboximidamide;dihydrochloride.
What is the SMILES notation for N'-carbamimidoyl-4-methylpiperazine-1-carboximidamide;dihydrochloride?
The canonical SMILES for N'-carbamimidoyl-4-methylpiperazine-1-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)N=C(N)N1CCN(C)CC1.
What is the InChIKey of N'-carbamimidoyl-4-methylpiperazine-1-carboximidamide;dihydrochloride?
The InChIKey is QJYSUWVNNKZHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N6.2ClH/c1-12-2-4-13(5-3-12)7(10)11-6(8)9;;/h2-5H2,1H3,(H5,8,9,10,11);2*1H.
What are the key properties of N'-carbamimidoyl-4-methylpiperazine-1-carboximidamide;dihydrochloride?
N'-carbamimidoyl-4-methylpiperazine-1-carboximidamide;dihydrochloride has a molecular weight of 257.17 g/mol, XLogP of -0.71, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-carbamimidoyl-4-methylpiperazine-1-carboximidamide;dihydrochloride is sourced from PubChem (CID 176519436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).