N'-ethyl-4-methylpiperazine-1-carboximidamide

C8H18N4 — CID 20641654

IUPACN'-ethyl-4-methylpiperazine-1-carboximidamide
SMILESCC/N=C(\N)N1CCN(C)CC1
InChIInChI=1S/C8H18N4/c1-3-10-8(9)12-6-4-11(2)5-7-12/h3-7H2,1-2H3,(H2,9,10)
InChIKeyAGDFTHIYIUERGW-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.43
Rot. Bonds1

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

N'-ethyl-4-methylpiperazine-1-carboximidamide (PubChem CID 20641654) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is N'-ethyl-4-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-4-methylpiperazine-1-carboximidamide
PubChem CID20641654
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC NameN'-ethyl-4-methylpiperazine-1-carboximidamide
SMILESCC/N=C(\N)N1CCN(C)CC1
InChIInChI=1S/C8H18N4/c1-3-10-8(9)12-6-4-11(2)5-7-12/h3-7H2,1-2H3,(H2,9,10)
InChIKeyAGDFTHIYIUERGW-UHFFFAOYSA-N
XLogP-0.43
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.43
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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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-4-methylpiperazine-1-carboximidamide?
The IUPAC name of N'-ethyl-4-methylpiperazine-1-carboximidamide (CID 20641654) is N'-ethyl-4-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-ethyl-4-methylpiperazine-1-carboximidamide?
The canonical SMILES for N'-ethyl-4-methylpiperazine-1-carboximidamide is CC/N=C(\N)N1CCN(C)CC1.
What is the InChIKey of N'-ethyl-4-methylpiperazine-1-carboximidamide?
The InChIKey is AGDFTHIYIUERGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-3-10-8(9)12-6-4-11(2)5-7-12/h3-7H2,1-2H3,(H2,9,10).
What are the key properties of N'-ethyl-4-methylpiperazine-1-carboximidamide?
N'-ethyl-4-methylpiperazine-1-carboximidamide has a molecular weight of 170.26 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-4-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 20641654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).