1,3-diamino-2-ethylguanidine

C3H11N5 — CID 20684867

IUPAC1,3-diamino-2-ethylguanidine
SMILESCCN=C(NN)NN
InChIInChI=1S/C3H11N5/c1-2-6-3(7-4)8-5/h2,4-5H2,1H3,(H2,6,7,8)
InChIKeyOWDBZPLEMLMPEH-UHFFFAOYSA-N
MW117.16 g/mol
LogP-1.71
Rot. Bonds1

About 1,3-diamino-2-ethylguanidine

1,3-diamino-2-ethylguanidine (PubChem CID 20684867) has the molecular formula C3H11N5 and a molecular weight of 117.16 g/mol. Its IUPAC name is 1,3-diamino-2-ethylguanidine.

Molecular Properties

Compound Name1,3-diamino-2-ethylguanidine
PubChem CID20684867
Molecular FormulaC3H11N5
Molecular Weight117.16 g/mol
Exact Mass117.10
IUPAC Name1,3-diamino-2-ethylguanidine
SMILESCCN=C(NN)NN
InChIInChI=1S/C3H11N5/c1-2-6-3(7-4)8-5/h2,4-5H2,1H3,(H2,6,7,8)
InChIKeyOWDBZPLEMLMPEH-UHFFFAOYSA-N
XLogP-1.71
TPSA88.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.16
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-diamino-2-ethylguanidine?
The IUPAC name of 1,3-diamino-2-ethylguanidine (CID 20684867) is 1,3-diamino-2-ethylguanidine.
What is the SMILES notation for 1,3-diamino-2-ethylguanidine?
The canonical SMILES for 1,3-diamino-2-ethylguanidine is CCN=C(NN)NN.
What is the InChIKey of 1,3-diamino-2-ethylguanidine?
The InChIKey is OWDBZPLEMLMPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11N5/c1-2-6-3(7-4)8-5/h2,4-5H2,1H3,(H2,6,7,8).
What are the key properties of 1,3-diamino-2-ethylguanidine?
1,3-diamino-2-ethylguanidine has a molecular weight of 117.16 g/mol, XLogP of -1.71, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diamino-2-ethylguanidine is sourced from PubChem (CID 20684867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).