2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine

C6H15N5 — CID 21361117

IUPAC2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine
SMILESCC/N=C(\N)N/C(N)=N/CC
InChIInChI=1S/C6H15N5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3,(H5,7,8,9,10,11)
InChIKeyCMEIYVWWZREFEM-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.75
Rot. Bonds2

About 2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine

2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine (PubChem CID 21361117) has the molecular formula C6H15N5 and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine.

Molecular Properties

Compound Name2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine
PubChem CID21361117
Molecular FormulaC6H15N5
Molecular Weight157.22 g/mol
Exact Mass157.13
IUPAC Name2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine
SMILESCC/N=C(\N)N/C(N)=N/CC
InChIInChI=1S/C6H15N5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3,(H5,7,8,9,10,11)
InChIKeyCMEIYVWWZREFEM-UHFFFAOYSA-N
XLogP-0.75
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-1-(N'-ethylcarbamimidoyl)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-ethyl-1-(N'-ethylcarbamimidoyl)guanidine?
The IUPAC name of 2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine (CID 21361117) is 2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine.
What is the SMILES notation for 2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine?
The canonical SMILES for 2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine is CC/N=C(\N)N/C(N)=N/CC.
What is the InChIKey of 2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine?
The InChIKey is CMEIYVWWZREFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3,(H5,7,8,9,10,11).
What are the key properties of 2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine?
2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine has a molecular weight of 157.22 g/mol, XLogP of -0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine is sourced from PubChem (CID 21361117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).