1-(diaminomethylidene)-2-ethoxyguanidine;sulfuric acid

C4H13N5O5S — CID 54605636

IUPAC1-(diaminomethylidene)-2-ethoxyguanidine;sulfuric acid
SMILESCCO/N=C(/N)N=C(N)N.O=S(=O)(O)O
InChIInChI=1S/C4H11N5O.H2O4S/c1-2-10-9-4(7)8-3(5)6;1-5(2,3)4/h2H2,1H3,(H6,5,6,7,8,9);(H2,1,2,3,4)
InChIKeyCUWWEXQDBQYNKT-UHFFFAOYSA-N
MW243.24 g/mol
LogP-2.13
Rot. Bonds2

About 1-(diaminomethylidene)-2-ethoxyguanidine;sulfuric acid

1-(diaminomethylidene)-2-ethoxyguanidine;sulfuric acid (PubChem CID 54605636) has the molecular formula C4H13N5O5S and a molecular weight of 243.24 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-ethoxyguanidine;sulfuric acid.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-ethoxyguanidine;sulfuric acid
PubChem CID54605636
Molecular FormulaC4H13N5O5S
Molecular Weight243.24 g/mol
Exact Mass243.06
IUPAC Name1-(diaminomethylidene)-2-ethoxyguanidine;sulfuric acid
SMILESCCO/N=C(/N)N=C(N)N.O=S(=O)(O)O
InChIInChI=1S/C4H11N5O.H2O4S/c1-2-10-9-4(7)8-3(5)6;1-5(2,3)4/h2H2,1H3,(H6,5,6,7,8,9);(H2,1,2,3,4)
InChIKeyCUWWEXQDBQYNKT-UHFFFAOYSA-N
XLogP-2.13
TPSA186.61 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 5-2.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

[[amino-(diaminomethylideneamino)methylidene]amino] N-octylsulfamate
CID 175540744
bis[[amino-(diaminomethylideneamino)methylidene]amino] hexanedioate;hydrochloride
CID 175018028
2-propylguanidine;sulfuric acid
CID 12725939
ethyl 3-[[amino-(diaminomethylideneamino)methylidene]amino]propanoate
CID 10778684
[[amino-(diaminomethylideneamino)methylidene]amino] 2-methylprop-2-enoate
CID 173073791
2-N,3-N-diethoxybutane-2,3-diimine
CID 20677078
ethyl 4-[[amino-(diaminomethylideneamino)methylidene]amino]butanoate
CID 83034898
ethanol;methanamine;sulfuric acid
CID 174912363
azane;ethanamine;sulfuric acid
CID 173214245
ethanol;hydrazine;sulfuric acid
CID 158277284
N-(diaminomethylidene)-2-ethoxyacetamide
CID 55290245
O-ethylhydroxylamine;methanesulfonic acid
CID 172739815

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-ethoxyguanidine;sulfuric acid?
The IUPAC name of 1-(diaminomethylidene)-2-ethoxyguanidine;sulfuric acid (CID 54605636) is 1-(diaminomethylidene)-2-ethoxyguanidine;sulfuric acid.
What is the SMILES notation for 1-(diaminomethylidene)-2-ethoxyguanidine;sulfuric acid?
The canonical SMILES for 1-(diaminomethylidene)-2-ethoxyguanidine;sulfuric acid is CCO/N=C(/N)N=C(N)N.O=S(=O)(O)O.
What is the InChIKey of 1-(diaminomethylidene)-2-ethoxyguanidine;sulfuric acid?
The InChIKey is CUWWEXQDBQYNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5O.H2O4S/c1-2-10-9-4(7)8-3(5)6;1-5(2,3)4/h2H2,1H3,(H6,5,6,7,8,9);(H2,1,2,3,4).
What are the key properties of 1-(diaminomethylidene)-2-ethoxyguanidine;sulfuric acid?
1-(diaminomethylidene)-2-ethoxyguanidine;sulfuric acid has a molecular weight of 243.24 g/mol, XLogP of -2.13, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-ethoxyguanidine;sulfuric acid is sourced from PubChem (CID 54605636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).