2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylazanide;iridium

C8H22IrN5- — CID 176691304

IUPAC2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylazanide;iridium
SMILES[Ir].[NH-]CCNCCNCCNCCN
InChIInChI=1S/C8H22N5.Ir/c9-1-3-11-5-7-13-8-6-12-4-2-10;/h9,11-13H,1-8,10H2;/q-1;
InChIKeyNRAKECGDYIDJHA-UHFFFAOYSA-N
MW380.52 g/mol
LogP-1.24
Rot. Bonds10

About 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylazanide;iridium

2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylazanide;iridium (PubChem CID 176691304) has the molecular formula C8H22IrN5- and a molecular weight of 380.52 g/mol. Its IUPAC name is 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylazanide;iridium.

Molecular Properties

Compound Name2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylazanide;iridium
PubChem CID176691304
Molecular FormulaC8H22IrN5-
Molecular Weight380.52 g/mol
Exact Mass381.15
IUPAC Name2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylazanide;iridium
SMILES[Ir].[NH-]CCNCCNCCNCCN
InChIInChI=1S/C8H22N5.Ir/c9-1-3-11-5-7-13-8-6-12-4-2-10;/h9,11-13H,1-8,10H2;/q-1;
InChIKeyNRAKECGDYIDJHA-UHFFFAOYSA-N
XLogP-1.24
TPSA85.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
acetic acid;2-(2-aminoethylamino)ethylazanide;gadolinium
CID 87275833
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;antimony(5+);ethane-1,2-diamine;lanthanum(3+);tetrakis(selenium(2-))
CID 139165833
bis(N'-(2-aminoethyl)ethane-1,2-diamine);antimony(5+);dysprosium(3+);tetrasulfide
CID 139196463
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1,2,3,4,5,6-hexachlorocyclohexane
CID 87854799
N'-[2-[2-(fluoroamino)ethylamino]ethyl]ethane-1,2-diamine
CID 87318857
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol
CID 19827531
2-(2-aminoethylamino)ethylazanide;methanone;ruthenium monohydride;triphenylphosphanium;chloride
CID 162302385

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylazanide;iridium?
The IUPAC name of 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylazanide;iridium (CID 176691304) is 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylazanide;iridium.
What is the SMILES notation for 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylazanide;iridium?
The canonical SMILES for 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylazanide;iridium is [Ir].[NH-]CCNCCNCCNCCN.
What is the InChIKey of 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylazanide;iridium?
The InChIKey is NRAKECGDYIDJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N5.Ir/c9-1-3-11-5-7-13-8-6-12-4-2-10;/h9,11-13H,1-8,10H2;/q-1;.
What are the key properties of 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylazanide;iridium?
2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylazanide;iridium has a molecular weight of 380.52 g/mol, XLogP of -1.24, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylazanide;iridium is sourced from PubChem (CID 176691304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).