2-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl]guanidine

C10H25N5+2 — CID 21340749

IUPAC2-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl]guanidine
SMILESC[N+]1(C)CC[N+](C)(CCN=C(N)N)CC1
InChIInChI=1S/C10H25N5/c1-14(2)6-8-15(3,9-7-14)5-4-13-10(11)12/h4-9H2,1-3H3,(H4,11,12,13)/q+2
InChIKeyVPBLYXUTMCTUFV-UHFFFAOYSA-N
MW215.34 g/mol
LogP-1.20
Rot. Bonds3

About 2-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl]guanidine

2-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl]guanidine (PubChem CID 21340749) has the molecular formula C10H25N5+2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl]guanidine
PubChem CID21340749
Molecular FormulaC10H25N5+2
Molecular Weight215.34 g/mol
Exact Mass215.21
IUPAC Name2-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl]guanidine
SMILESC[N+]1(C)CC[N+](C)(CCN=C(N)N)CC1
InChIInChI=1S/C10H25N5/c1-14(2)6-8-15(3,9-7-14)5-4-13-10(11)12/h4-9H2,1-3H3,(H4,11,12,13)/q+2
InChIKeyVPBLYXUTMCTUFV-UHFFFAOYSA-N
XLogP-1.20
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl]guanidine?
The IUPAC name of 2-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl]guanidine (CID 21340749) is 2-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl]guanidine?
The canonical SMILES for 2-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl]guanidine is C[N+]1(C)CC[N+](C)(CCN=C(N)N)CC1.
What is the InChIKey of 2-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl]guanidine?
The InChIKey is VPBLYXUTMCTUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N5/c1-14(2)6-8-15(3,9-7-14)5-4-13-10(11)12/h4-9H2,1-3H3,(H4,11,12,13)/q+2.
What are the key properties of 2-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl]guanidine?
2-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl]guanidine has a molecular weight of 215.34 g/mol, XLogP of -1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl]guanidine is sourced from PubChem (CID 21340749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).