N'-(2-aminoethyl)-4-methylpiperazine-1-carboximidamide

C8H19N5 — CID 91599877

IUPACN'-(2-aminoethyl)-4-methylpiperazine-1-carboximidamide
SMILESCN1CCN(/C(N)=N/CCN)CC1
InChIInChI=1S/C8H19N5/c1-12-4-6-13(7-5-12)8(10)11-3-2-9/h2-7,9H2,1H3,(H2,10,11)
InChIKeyLYZROEFNBWEEFN-UHFFFAOYSA-N
MW185.27 g/mol
LogP-1.49
Rot. Bonds2

About N'-(2-aminoethyl)-4-methylpiperazine-1-carboximidamide

N'-(2-aminoethyl)-4-methylpiperazine-1-carboximidamide (PubChem CID 91599877) has the molecular formula C8H19N5 and a molecular weight of 185.27 g/mol. Its IUPAC name is N'-(2-aminoethyl)-4-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-aminoethyl)-4-methylpiperazine-1-carboximidamide
PubChem CID91599877
Molecular FormulaC8H19N5
Molecular Weight185.27 g/mol
Exact Mass185.16
IUPAC NameN'-(2-aminoethyl)-4-methylpiperazine-1-carboximidamide
SMILESCN1CCN(/C(N)=N/CCN)CC1
InChIInChI=1S/C8H19N5/c1-12-4-6-13(7-5-12)8(10)11-3-2-9/h2-7,9H2,1H3,(H2,10,11)
InChIKeyLYZROEFNBWEEFN-UHFFFAOYSA-N
XLogP-1.49
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-(2-aminoethyl)-4-methylpiperazine-1-carboximidamide?
The IUPAC name of N'-(2-aminoethyl)-4-methylpiperazine-1-carboximidamide (CID 91599877) is N'-(2-aminoethyl)-4-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-(2-aminoethyl)-4-methylpiperazine-1-carboximidamide?
The canonical SMILES for N'-(2-aminoethyl)-4-methylpiperazine-1-carboximidamide is CN1CCN(/C(N)=N/CCN)CC1.
What is the InChIKey of N'-(2-aminoethyl)-4-methylpiperazine-1-carboximidamide?
The InChIKey is LYZROEFNBWEEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5/c1-12-4-6-13(7-5-12)8(10)11-3-2-9/h2-7,9H2,1H3,(H2,10,11).
What are the key properties of N'-(2-aminoethyl)-4-methylpiperazine-1-carboximidamide?
N'-(2-aminoethyl)-4-methylpiperazine-1-carboximidamide has a molecular weight of 185.27 g/mol, XLogP of -1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-4-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 91599877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).