N'-oxidoethane-1,2-diamine

C2H7N2O- — CID 58480278

IUPACN'-oxidoethane-1,2-diamine
SMILESNCCN[O-]
InChIInChI=1S/C2H7N2O/c3-1-2-4-5/h4H,1-3H2/q-1
InChIKeyDCEVDLUIYJOAHK-UHFFFAOYSA-N
MW75.09 g/mol
LogP-0.97
Rot. Bonds2

About N'-oxidoethane-1,2-diamine

N'-oxidoethane-1,2-diamine (PubChem CID 58480278) has the molecular formula C2H7N2O- and a molecular weight of 75.09 g/mol. Its IUPAC name is N'-oxidoethane-1,2-diamine.

Molecular Properties

Compound NameN'-oxidoethane-1,2-diamine
PubChem CID58480278
Molecular FormulaC2H7N2O-
Molecular Weight75.09 g/mol
Exact Mass75.06
IUPAC NameN'-oxidoethane-1,2-diamine
SMILESNCCN[O-]
InChIInChI=1S/C2H7N2O/c3-1-2-4-5/h4H,1-3H2/q-1
InChIKeyDCEVDLUIYJOAHK-UHFFFAOYSA-N
XLogP-0.97
TPSA61.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.09
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N'-oxidobutane-1,4-diamine
CID 167441080
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
dodecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;tetraborate
CID 159570968
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
pentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate
CID 175158292
bis(N'-(2-aminoethyl)ethane-1,2-diamine);antimony(5+);dysprosium(3+);tetrasulfide
CID 139196463
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
calcium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;phosphate
CID 174896105
N'-(cyclopropylmethyl)ethane-1,2-diamine
CID 21062197
2-(2-aminoethylamino)ethyl-trioxidophosphanium
CID 101174409
tris(2-aminoethylamino)-ethylazanium chloride
CID 87673627

Frequently Asked Questions

What is the IUPAC name of N'-oxidoethane-1,2-diamine?
The IUPAC name of N'-oxidoethane-1,2-diamine (CID 58480278) is N'-oxidoethane-1,2-diamine.
What is the SMILES notation for N'-oxidoethane-1,2-diamine?
The canonical SMILES for N'-oxidoethane-1,2-diamine is NCCN[O-].
What is the InChIKey of N'-oxidoethane-1,2-diamine?
The InChIKey is DCEVDLUIYJOAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N2O/c3-1-2-4-5/h4H,1-3H2/q-1.
What are the key properties of N'-oxidoethane-1,2-diamine?
N'-oxidoethane-1,2-diamine has a molecular weight of 75.09 g/mol, XLogP of -0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-oxidoethane-1,2-diamine is sourced from PubChem (CID 58480278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).