1-(diaminomethylideneamino)ethyl methyl phosphate

C4H11N3O4P- — CID 21145072

IUPAC1-(diaminomethylideneamino)ethyl methyl 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)/p-1
InChIKeyHFDRCMVNMKNAIU-UHFFFAOYSA-M
MW196.12 g/mol
LogP-1.26
Rot. Bonds4

About 1-(diaminomethylideneamino)ethyl methyl phosphate

1-(diaminomethylideneamino)ethyl methyl phosphate (PubChem CID 21145072) has the molecular formula C4H11N3O4P- and a molecular weight of 196.12 g/mol. Its IUPAC name is 1-(diaminomethylideneamino)ethyl methyl phosphate.

Molecular Properties

Compound Name1-(diaminomethylideneamino)ethyl methyl phosphate
PubChem CID21145072
Molecular FormulaC4H11N3O4P-
Molecular Weight196.12 g/mol
Exact Mass196.05
IUPAC Name1-(diaminomethylideneamino)ethyl methyl 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)/p-1
InChIKeyHFDRCMVNMKNAIU-UHFFFAOYSA-M
XLogP-1.26
TPSA122.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.12
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(diaminomethylideneamino)ethyl methyl hydrogen phosphate
CID 21145073
aminomethyl methyl phosphate
CID 123377325
2-(1-aminooxyethyl)guanidine
CID 173251677
[[(E)-N'-[1-[hydroxy(methoxy)phosphoryl]oxyethyl]carbamimidoyl]amino]phosphonic acid
CID 21145094
phosphanium dimethyl phosphate
CID 118555188
barium(2+);bis(dimethyl phosphate)
CID 3835926
2-(diaminomethylideneazaniumyl)ethyl methyl phosphate
CID 25202957
copper bis(dipropan-2-yl phosphate)
CID 159825108
2-aminoethyl methyl phosphate
CID 59620632
dimethyl phosphate;1-[methoxy(oxido)phosphoryl]oxypropyl methyl phosphate;sulfanylidenephosphane
CID 157095571
(Z)-1-dimethoxyphosphoryl-3-methylbut-1-en-2-amine
CID 13103932
sodium ethyl methyl phosphate
CID 134607083

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylideneamino)ethyl methyl phosphate?
The IUPAC name of 1-(diaminomethylideneamino)ethyl methyl phosphate (CID 21145072) is 1-(diaminomethylideneamino)ethyl methyl phosphate.
What is the SMILES notation for 1-(diaminomethylideneamino)ethyl methyl phosphate?
The canonical SMILES for 1-(diaminomethylideneamino)ethyl methyl phosphate is COP(=O)([O-])OC(C)N=C(N)N.
What is the InChIKey of 1-(diaminomethylideneamino)ethyl methyl phosphate?
The InChIKey is HFDRCMVNMKNAIU-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 1-(diaminomethylideneamino)ethyl methyl phosphate?
1-(diaminomethylideneamino)ethyl methyl phosphate has a molecular weight of 196.12 g/mol, XLogP of -1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylideneamino)ethyl methyl phosphate is sourced from PubChem (CID 21145072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).