ethane;2-ethylguanidine

C5H15N3 — CID 145018859

IUPACethane;2-ethylguanidine
SMILESCC.CCN=C(N)N
InChIInChI=1S/C3H9N3.C2H6/c1-2-6-3(4)5;1-2/h2H2,1H3,(H4,4,5,6);1-2H3
InChIKeyYMJXZGNWNZTFGO-UHFFFAOYSA-N
MW117.20 g/mol
LogP0.31
Rot. Bonds1

About ethane;2-ethylguanidine

ethane;2-ethylguanidine (PubChem CID 145018859) has the molecular formula C5H15N3 and a molecular weight of 117.20 g/mol. Its IUPAC name is ethane;2-ethylguanidine.

Molecular Properties

Compound Nameethane;2-ethylguanidine
PubChem CID145018859
Molecular FormulaC5H15N3
Molecular Weight117.20 g/mol
Exact Mass117.13
IUPAC Nameethane;2-ethylguanidine
SMILESCC.CCN=C(N)N
InChIInChI=1S/C3H9N3.C2H6/c1-2-6-3(4)5;1-2/h2H2,1H3,(H4,4,5,6);1-2H3
InChIKeyYMJXZGNWNZTFGO-UHFFFAOYSA-N
XLogP0.31
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.20
LogP ≤ 50.31
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 ethane;2-ethylguanidine with MolForge

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

Launch Full Analysis

Related Compounds

Buformin
CID 2468
Ethylguanidine hydrochloride
CID 11297964
N-Ethylguanidine
CID 29544
Propylguanidine
CID 447907
N'',N'''-Ethane-1,2-diyldiguanidine
CID 25831
2-Butylguanidine
CID 199249
N-Ethylimidodicarbonimidic diamide
CID 16446
Propylbiguanide
CID 30119
Neopentylguanidine
CID 3964494
Diethylcarbodiimide
CID 9833932
1-Isopropylguanidine
CID 11491919
1-Ethyl-3-methyl carbodiimide
CID 12462583

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethylguanidine?
The IUPAC name of ethane;2-ethylguanidine (CID 145018859) is ethane;2-ethylguanidine.
What is the SMILES notation for ethane;2-ethylguanidine?
The canonical SMILES for ethane;2-ethylguanidine is CC.CCN=C(N)N.
What is the InChIKey of ethane;2-ethylguanidine?
The InChIKey is YMJXZGNWNZTFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3.C2H6/c1-2-6-3(4)5;1-2/h2H2,1H3,(H4,4,5,6);1-2H3.
What are the key properties of ethane;2-ethylguanidine?
ethane;2-ethylguanidine has a molecular weight of 117.20 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethylguanidine is sourced from PubChem (CID 145018859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).