1,2-dimethylguanidine;ethane

C5H15N3 — CID 54378223

IUPAC1,2-dimethylguanidine;ethane
SMILESC/N=C(\N)NC.CC
InChIInChI=1S/C3H9N3.C2H6/c1-5-3(4)6-2;1-2/h1-2H3,(H3,4,5,6);1-2H3
InChIKeyUYBMXSXQGMUTNA-UHFFFAOYSA-N
MW117.20 g/mol
LogP0.18
Rot. Bonds

About 1,2-dimethylguanidine;ethane

1,2-dimethylguanidine;ethane (PubChem CID 54378223) has the molecular formula C5H15N3 and a molecular weight of 117.20 g/mol. Its IUPAC name is 1,2-dimethylguanidine;ethane.

Molecular Properties

Compound Name1,2-dimethylguanidine;ethane
PubChem CID54378223
Molecular FormulaC5H15N3
Molecular Weight117.20 g/mol
Exact Mass117.13
IUPAC Name1,2-dimethylguanidine;ethane
SMILESC/N=C(\N)NC.CC
InChIInChI=1S/C3H9N3.C2H6/c1-5-3(4)6-2;1-2/h1-2H3,(H3,4,5,6);1-2H3
InChIKeyUYBMXSXQGMUTNA-UHFFFAOYSA-N
XLogP0.18
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.20
LogP ≤ 50.18
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'}

Analyze 1,2-dimethylguanidine;ethane 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 1,2-dimethylguanidine;ethane?
The IUPAC name of 1,2-dimethylguanidine;ethane (CID 54378223) is 1,2-dimethylguanidine;ethane.
What is the SMILES notation for 1,2-dimethylguanidine;ethane?
The canonical SMILES for 1,2-dimethylguanidine;ethane is C/N=C(\N)NC.CC.
What is the InChIKey of 1,2-dimethylguanidine;ethane?
The InChIKey is UYBMXSXQGMUTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3.C2H6/c1-5-3(4)6-2;1-2/h1-2H3,(H3,4,5,6);1-2H3.
What are the key properties of 1,2-dimethylguanidine;ethane?
1,2-dimethylguanidine;ethane has a molecular weight of 117.20 g/mol, XLogP of 0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylguanidine;ethane is sourced from PubChem (CID 54378223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).