ethane-1,2-diamine dinitrate

C2H8N4O6-2 — CID 3015097

IUPACethane-1,2-diamine dinitrate
SMILESNCCN.O=[N+]([O-])[O-].O=[N+]([O-])[O-]
InChIInChI=1S/C2H8N2.2NO3/c3-1-2-4;2*2-1(3)4/h1-4H2;;/q;2*-1
InChIKeyPZFLLCJOKHGTEJ-UHFFFAOYSA-N
MW184.11 g/mol
LogP-1.57
Rot. Bonds1

About ethane-1,2-diamine dinitrate

ethane-1,2-diamine dinitrate (PubChem CID 3015097) has the molecular formula C2H8N4O6-2 and a molecular weight of 184.11 g/mol. Its IUPAC name is ethane-1,2-diamine dinitrate.

Molecular Properties

Compound Nameethane-1,2-diamine dinitrate
PubChem CID3015097
Molecular FormulaC2H8N4O6-2
Molecular Weight184.11 g/mol
Exact Mass184.05
IUPAC Nameethane-1,2-diamine dinitrate
SMILESNCCN.O=[N+]([O-])[O-].O=[N+]([O-])[O-]
InChIInChI=1S/C2H8N2.2NO3/c3-1-2-4;2*2-1(3)4/h1-4H2;;/q;2*-1
InChIKeyPZFLLCJOKHGTEJ-UHFFFAOYSA-N
XLogP-1.57
TPSA184.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1,2-Ethanediamine, nitrate (1:2)
CID 12200823
trans-Dinitrobis(ethylenediamine)cobalt(III) nitrate
CID 16217314
Nitric acid--ethane-1,2-diamine (1/1)
CID 12200828
Ethylenediammonium dinitrate
CID 15606545
N'-dinitroethylenediamine
CID 88120472
Bis-ethylenediamine nitrate
CID 129831173
Ethylazanium dinitrate
CID 129864337
Platinum(4+), tris(1,2-ethanediamine-kappaN1,kappaN2)-, (OC-6-11)-, nitrate (1:4)
CID 176260
Palladium(2+), diaqua(1,2-ethanediamine-N,N')-, (SP-4-2)-initrate
CID 151749
Ethane-1,2-diamine; tetranitrosooxycobalt(1-)
CID 498579
Propyl-1,3-diammonium dinitrate
CID 129880664
Platinum(II), diaqua(1,2-ethanediammine-N,N')-, (SP-4-2)-, dinitrate
CID 162674

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine dinitrate?
The IUPAC name of ethane-1,2-diamine dinitrate (CID 3015097) is ethane-1,2-diamine dinitrate.
What is the SMILES notation for ethane-1,2-diamine dinitrate?
The canonical SMILES for ethane-1,2-diamine dinitrate is NCCN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].
What is the InChIKey of ethane-1,2-diamine dinitrate?
The InChIKey is PZFLLCJOKHGTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.2NO3/c3-1-2-4;2*2-1(3)4/h1-4H2;;/q;2*-1.
What are the key properties of ethane-1,2-diamine dinitrate?
ethane-1,2-diamine dinitrate has a molecular weight of 184.11 g/mol, XLogP of -1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine dinitrate is sourced from PubChem (CID 3015097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).