2-[2-(4-methylpiperazin-1-yl)ethyl]guanidine

C8H19N5 — CID 45115657

IUPAC2-[2-(4-methylpiperazin-1-yl)ethyl]guanidine
SMILESCN1CCN(CCN=C(N)N)CC1
InChIInChI=1S/C8H19N5/c1-12-4-6-13(7-5-12)3-2-11-8(9)10/h2-7H2,1H3,(H4,9,10,11)
InChIKeyUQQANGXEKGPJNV-UHFFFAOYSA-N
MW185.27 g/mol
LogP-1.49
Rot. Bonds3

About 2-[2-(4-methylpiperazin-1-yl)ethyl]guanidine

2-[2-(4-methylpiperazin-1-yl)ethyl]guanidine (PubChem CID 45115657) has the molecular formula C8H19N5 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)ethyl]guanidine
PubChem CID45115657
Molecular FormulaC8H19N5
Molecular Weight185.27 g/mol
Exact Mass185.16
IUPAC Name2-[2-(4-methylpiperazin-1-yl)ethyl]guanidine
SMILESCN1CCN(CCN=C(N)N)CC1
InChIInChI=1S/C8H19N5/c1-12-4-6-13(7-5-12)3-2-11-8(9)10/h2-7H2,1H3,(H4,9,10,11)
InChIKeyUQQANGXEKGPJNV-UHFFFAOYSA-N
XLogP-1.49
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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 2-[2-(4-methylpiperazin-1-yl)ethyl]guanidine?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)ethyl]guanidine (CID 45115657) is 2-[2-(4-methylpiperazin-1-yl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)ethyl]guanidine?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)ethyl]guanidine is CN1CCN(CCN=C(N)N)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)ethyl]guanidine?
The InChIKey is UQQANGXEKGPJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5/c1-12-4-6-13(7-5-12)3-2-11-8(9)10/h2-7H2,1H3,(H4,9,10,11).
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)ethyl]guanidine?
2-[2-(4-methylpiperazin-1-yl)ethyl]guanidine has a molecular weight of 185.27 g/mol, XLogP of -1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)ethyl]guanidine is sourced from PubChem (CID 45115657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).