1-(diaminomethylideneamino)ethyl methyl hydrogen phosphate

C4H12N3O4P — CID 21145073

IUPAC1-(diaminomethylideneamino)ethyl methyl hydrogen phosphate
SMILESCOP(=O)(O)OC(C)N=C(N)N
InChIInChI=1S/C4H12N3O4P/c1-3(7-4(5)6)11-12(8,9)10-2/h3H,1-2H3,(H,8,9)(H4,5,6,7)
InChIKeyHFDRCMVNMKNAIU-UHFFFAOYSA-N
MW197.13 g/mol
LogP-0.63
Rot. Bonds4

About 1-(diaminomethylideneamino)ethyl methyl hydrogen phosphate

1-(diaminomethylideneamino)ethyl methyl hydrogen phosphate (PubChem CID 21145073) has the molecular formula C4H12N3O4P and a molecular weight of 197.13 g/mol. Its IUPAC name is 1-(diaminomethylideneamino)ethyl methyl hydrogen phosphate.

Molecular Properties

Compound Name1-(diaminomethylideneamino)ethyl methyl hydrogen phosphate
PubChem CID21145073
Molecular FormulaC4H12N3O4P
Molecular Weight197.13 g/mol
Exact Mass197.06
IUPAC Name1-(diaminomethylideneamino)ethyl methyl hydrogen phosphate
SMILESCOP(=O)(O)OC(C)N=C(N)N
InChIInChI=1S/C4H12N3O4P/c1-3(7-4(5)6)11-12(8,9)10-2/h3H,1-2H3,(H,8,9)(H4,5,6,7)
InChIKeyHFDRCMVNMKNAIU-UHFFFAOYSA-N
XLogP-0.63
TPSA120.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.13
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
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': 'phosphor', 'substructure': 'N/A'}

Analyze 1-(diaminomethylideneamino)ethyl methyl hydrogen phosphate 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

[[(E)-N'-[1-[hydroxy(methoxy)phosphoryl]oxyethyl]carbamimidoyl]amino]phosphonic acid
CID 21145094
1-(diaminomethylideneamino)ethyl methyl phosphate
CID 21145072
2-(1-aminooxyethyl)guanidine
CID 173251677
methyl pentan-2-yl hydrogen phosphate
CID 138486874
tris(dimethyl hydrogen phosphate);titanium
CID 131876605
dimethyl hydrogen phosphate;methane
CID 88807117
dimethyl hydrogen phosphate;heptahydrate
CID 175149976
(1-amino-3-methoxypropan-2-yl) methyl hydrogen phosphate
CID 90329165
methyl (1,2,3-trihydroxy-3-silylpropyl) hydrogen phosphate
CID 174772902
sodium;azane;dimethyl hydrogen phosphate;hydride
CID 175474279
tripotassium;amino methyl hydrogen phosphate;azane;hydride
CID 174615874
fluoro methyl hydrogen phosphate
CID 87128109

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylideneamino)ethyl methyl hydrogen phosphate?
The IUPAC name of 1-(diaminomethylideneamino)ethyl methyl hydrogen phosphate (CID 21145073) is 1-(diaminomethylideneamino)ethyl methyl hydrogen phosphate.
What is the SMILES notation for 1-(diaminomethylideneamino)ethyl methyl hydrogen phosphate?
The canonical SMILES for 1-(diaminomethylideneamino)ethyl methyl hydrogen phosphate is COP(=O)(O)OC(C)N=C(N)N.
What is the InChIKey of 1-(diaminomethylideneamino)ethyl methyl hydrogen phosphate?
The InChIKey is HFDRCMVNMKNAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N3O4P/c1-3(7-4(5)6)11-12(8,9)10-2/h3H,1-2H3,(H,8,9)(H4,5,6,7).
What are the key properties of 1-(diaminomethylideneamino)ethyl methyl hydrogen phosphate?
1-(diaminomethylideneamino)ethyl methyl hydrogen phosphate has a molecular weight of 197.13 g/mol, XLogP of -0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylideneamino)ethyl methyl hydrogen phosphate is sourced from PubChem (CID 21145073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).