N'-methanimidoyl-4-methylpiperazine-1-carboximidamide

C7H15N5 — CID 90056098

IUPACN'-methanimidoyl-4-methylpiperazine-1-carboximidamide
SMILES[H]/N=C/N=C(\N)N1CCN(C)CC1
InChIInChI=1S/C7H15N5/c1-11-2-4-12(5-3-11)7(9)10-6-8/h6H,2-5H2,1H3,(H3,8,9,10)
InChIKeyJBOBKWGFLVSVAY-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.84
Rot. Bonds1

About N'-methanimidoyl-4-methylpiperazine-1-carboximidamide

N'-methanimidoyl-4-methylpiperazine-1-carboximidamide (PubChem CID 90056098) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is N'-methanimidoyl-4-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-methanimidoyl-4-methylpiperazine-1-carboximidamide
PubChem CID90056098
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC NameN'-methanimidoyl-4-methylpiperazine-1-carboximidamide
SMILES[H]/N=C/N=C(\N)N1CCN(C)CC1
InChIInChI=1S/C7H15N5/c1-11-2-4-12(5-3-11)7(9)10-6-8/h6H,2-5H2,1H3,(H3,8,9,10)
InChIKeyJBOBKWGFLVSVAY-UHFFFAOYSA-N
XLogP-0.84
TPSA68.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.84
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 N'-methanimidoyl-4-methylpiperazine-1-carboximidamide?
The IUPAC name of N'-methanimidoyl-4-methylpiperazine-1-carboximidamide (CID 90056098) is N'-methanimidoyl-4-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-methanimidoyl-4-methylpiperazine-1-carboximidamide?
The canonical SMILES for N'-methanimidoyl-4-methylpiperazine-1-carboximidamide is [H]/N=C/N=C(\N)N1CCN(C)CC1.
What is the InChIKey of N'-methanimidoyl-4-methylpiperazine-1-carboximidamide?
The InChIKey is JBOBKWGFLVSVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-11-2-4-12(5-3-11)7(9)10-6-8/h6H,2-5H2,1H3,(H3,8,9,10).
What are the key properties of N'-methanimidoyl-4-methylpiperazine-1-carboximidamide?
N'-methanimidoyl-4-methylpiperazine-1-carboximidamide has a molecular weight of 169.23 g/mol, XLogP of -0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methanimidoyl-4-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 90056098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).