N'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate

C6H16CoN3O2+ — CID 23344028

IUPACN'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate
SMILESCC(=O)[O-].NCCNCCN.[Co+2]
InChIInChI=1S/C4H13N3.C2H4O2.Co/c5-1-3-7-4-2-6;1-2(3)4;/h7H,1-6H2;1H3,(H,3,4);/q;;+2/p-1
InChIKeyGDHPAXJAQSLUFV-UHFFFAOYSA-M
MW221.15 g/mol
LogP-2.75
Rot. Bonds4

About N'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate

N'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate (PubChem CID 23344028) has the molecular formula C6H16CoN3O2+ and a molecular weight of 221.15 g/mol. Its IUPAC name is N'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate.

Molecular Properties

Compound NameN'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate
PubChem CID23344028
Molecular FormulaC6H16CoN3O2+
Molecular Weight221.15 g/mol
Exact Mass221.06
IUPAC NameN'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate
SMILESCC(=O)[O-].NCCNCCN.[Co+2]
InChIInChI=1S/C4H13N3.C2H4O2.Co/c5-1-3-7-4-2-6;1-2(3)4;/h7H,1-6H2;1H3,(H,3,4);/q;;+2/p-1
InChIKeyGDHPAXJAQSLUFV-UHFFFAOYSA-M
XLogP-2.75
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.15
LogP ≤ 5-2.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

pentacalcium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);decaacetate
CID 173203921
azanium;N'-(2-aminoethyl)ethane-1,2-diamine;iron(4+);pentaacetate
CID 157360906
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;gadolinium(3+);triacetate
CID 158309087
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;iron(3+);triacetate
CID 172701648
trisodium;2-(2-aminoethylamino)ethanol;triacetate;hydrate
CID 172795947
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 140516466
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;azane;dihydrate
CID 173303961
2-(2-aminoethylamino)ethanol;tris(triethylazanium);triacetate
CID 158624766
disodium;N'-pentylethane-1,2-diamine;propanoate
CID 174680589
disodium bis(2-(2-aminoethylamino)acetate)
CID 173036397

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate?
The IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate (CID 23344028) is N'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate.
What is the SMILES notation for N'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate?
The canonical SMILES for N'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate is CC(=O)[O-].NCCNCCN.[Co+2].
What is the InChIKey of N'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate?
The InChIKey is GDHPAXJAQSLUFV-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H13N3.C2H4O2.Co/c5-1-3-7-4-2-6;1-2(3)4;/h7H,1-6H2;1H3,(H,3,4);/q;;+2/p-1.
What are the key properties of N'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate?
N'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate has a molecular weight of 221.15 g/mol, XLogP of -2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate is sourced from PubChem (CID 23344028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).