1-[amino-[(N'-ethylcarbamimidoyl)amino]oxyphosphoryl]oxy-2-ethylguanidine

C6H18N7O3P — CID 87358909

IUPAC1-[amino-[(N'-ethylcarbamimidoyl)amino]oxyphosphoryl]oxy-2-ethylguanidine
SMILESCC/N=C(\N)NOP(N)(=O)ON/C(N)=N/CC
InChIInChI=1S/C6H18N7O3P/c1-3-10-5(7)12-15-17(9,14)16-13-6(8)11-4-2/h3-4H2,1-2H3,(H2,9,14)(H3,7,10,12)(H3,8,11,13)
InChIKeyLJDVYLACJGSKOT-UHFFFAOYSA-N
MW267.23 g/mol
LogP-1.24
Rot. Bonds6

About 1-[amino-[(N'-ethylcarbamimidoyl)amino]oxyphosphoryl]oxy-2-ethylguanidine

1-[amino-[(N'-ethylcarbamimidoyl)amino]oxyphosphoryl]oxy-2-ethylguanidine (PubChem CID 87358909) has the molecular formula C6H18N7O3P and a molecular weight of 267.23 g/mol. Its IUPAC name is 1-[amino-[(N'-ethylcarbamimidoyl)amino]oxyphosphoryl]oxy-2-ethylguanidine.

Molecular Properties

Compound Name1-[amino-[(N'-ethylcarbamimidoyl)amino]oxyphosphoryl]oxy-2-ethylguanidine
PubChem CID87358909
Molecular FormulaC6H18N7O3P
Molecular Weight267.23 g/mol
Exact Mass267.12
IUPAC Name1-[amino-[(N'-ethylcarbamimidoyl)amino]oxyphosphoryl]oxy-2-ethylguanidine
SMILESCC/N=C(\N)NOP(N)(=O)ON/C(N)=N/CC
InChIInChI=1S/C6H18N7O3P/c1-3-10-5(7)12-15-17(9,14)16-13-6(8)11-4-2/h3-4H2,1-2H3,(H2,9,14)(H3,7,10,12)(H3,8,11,13)
InChIKeyLJDVYLACJGSKOT-UHFFFAOYSA-N
XLogP-1.24
TPSA162.37 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 5-1.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[amino-[(N'-ethylcarbamimidoyl)amino]oxyphosphoryl]oxy-2-ethylguanidine?
The IUPAC name of 1-[amino-[(N'-ethylcarbamimidoyl)amino]oxyphosphoryl]oxy-2-ethylguanidine (CID 87358909) is 1-[amino-[(N'-ethylcarbamimidoyl)amino]oxyphosphoryl]oxy-2-ethylguanidine.
What is the SMILES notation for 1-[amino-[(N'-ethylcarbamimidoyl)amino]oxyphosphoryl]oxy-2-ethylguanidine?
The canonical SMILES for 1-[amino-[(N'-ethylcarbamimidoyl)amino]oxyphosphoryl]oxy-2-ethylguanidine is CC/N=C(\N)NOP(N)(=O)ON/C(N)=N/CC.
What is the InChIKey of 1-[amino-[(N'-ethylcarbamimidoyl)amino]oxyphosphoryl]oxy-2-ethylguanidine?
The InChIKey is LJDVYLACJGSKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N7O3P/c1-3-10-5(7)12-15-17(9,14)16-13-6(8)11-4-2/h3-4H2,1-2H3,(H2,9,14)(H3,7,10,12)(H3,8,11,13).
What are the key properties of 1-[amino-[(N'-ethylcarbamimidoyl)amino]oxyphosphoryl]oxy-2-ethylguanidine?
1-[amino-[(N'-ethylcarbamimidoyl)amino]oxyphosphoryl]oxy-2-ethylguanidine has a molecular weight of 267.23 g/mol, XLogP of -1.24, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-[(N'-ethylcarbamimidoyl)amino]oxyphosphoryl]oxy-2-ethylguanidine is sourced from PubChem (CID 87358909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).