CID 87415792

C4H10N2O4P2 — CID 87415792

IUPAC—
SMILESC=[P+]([O-])ON(CCN)O[P+](=C)[O-]
InChIInChI=1S/C4H10N2O4P2/c1-11(7)9-6(4-3-5)10-12(2)8/h1-5H2
InChIKeyHLLALLCNAZJCAA-UHFFFAOYSA-N
MW212.08 g/mol
LogP-1.68
Rot. Bonds6

About CID 87415792

CID 87415792 (PubChem CID 87415792) has the molecular formula C4H10N2O4P2 and a molecular weight of 212.08 g/mol.

Molecular Properties

Compound NameCID 87415792
PubChem CID87415792
Molecular FormulaC4H10N2O4P2
Molecular Weight212.08 g/mol
Exact Mass212.01
IUPAC Name—
SMILESC=[P+]([O-])ON(CCN)O[P+](=C)[O-]
InChIInChI=1S/C4H10N2O4P2/c1-11(7)9-6(4-3-5)10-12(2)8/h1-5H2
InChIKeyHLLALLCNAZJCAA-UHFFFAOYSA-N
XLogP-1.68
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.08
LogP ≤ 5-1.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-ethoxy-N'-propoxyethane-1,2-diamine
CID 87598750
N'-(2-aminoethyl)-N'-diazenylethane-1,2-diamine
CID 87672155
N'-methyl-N'-trimethoxysilylethane-1,2-diamine
CID 174529587
tetrasodium;bis(dioxido(oxo)phosphanium);ethane-1,2-diamine
CID 175441784
N,N-bis(2-aminoethyl)thiohydroxylamine
CID 167298608
N',N'-bis(2-aminoethyl)ethane-1,2-diamine;perchloric acid
CID 71341920
bis(N',N'-dimethylethane-1,2-diamine);nickel;bis(nickel(2+));tetrakis(N-oxidohydroxylamine);dihydrate
CID 50934623
disodium;dioxido(oxo)phosphanium;ethene;hexane-1,6-diamine
CID 175452902
disodium;dioxido(oxo)phosphanium;ethene;hexane-1,6-diamine
CID 175452919
bis(N',N'-dimethylethane-1,2-diamine);nickel(2+);diperchlorate
CID 12057472
1-(2-aminoethyl)-1-nitrourea
CID 141425314
trans-(1R,2R)-1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)cyclohexane-1,2-diamine
CID 71163513

Frequently Asked Questions

What is the IUPAC name of CID 87415792?
The IUPAC name of CID 87415792 (CID 87415792) is not available.
What is the SMILES notation for CID 87415792?
The canonical SMILES for CID 87415792 is C=[P+]([O-])ON(CCN)O[P+](=C)[O-].
What is the InChIKey of CID 87415792?
The InChIKey is HLLALLCNAZJCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O4P2/c1-11(7)9-6(4-3-5)10-12(2)8/h1-5H2.
What are the key properties of CID 87415792?
CID 87415792 has a molecular weight of 212.08 g/mol, XLogP of -1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87415792 is sourced from PubChem (CID 87415792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).