N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine triiodide

C8H23I3N5- — CID 162095559

IUPACN'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine triiodide
SMILESI[I-]I.NCCNCCNCCNCCN
InChIInChI=1S/C8H23N5.I3/c9-1-3-11-5-7-13-8-6-12-4-2-10;1-3-2/h11-13H,1-10H2;/q;-1
InChIKeyPAZFGNRIUWSRHI-UHFFFAOYSA-N
MW570.02 g/mol
LogP-3.55
Rot. Bonds10

About N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine triiodide

N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine triiodide (PubChem CID 162095559) has the molecular formula C8H23I3N5- and a molecular weight of 570.02 g/mol. Its IUPAC name is N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine triiodide.

Molecular Properties

Compound NameN'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine triiodide
PubChem CID162095559
Molecular FormulaC8H23I3N5-
Molecular Weight570.02 g/mol
Exact Mass569.91
IUPAC NameN'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine triiodide
SMILESI[I-]I.NCCNCCNCCNCCN
InChIInChI=1S/C8H23N5.I3/c9-1-3-11-5-7-13-8-6-12-4-2-10;1-3-2/h11-13H,1-10H2;/q;-1
InChIKeyPAZFGNRIUWSRHI-UHFFFAOYSA-N
XLogP-3.55
TPSA88.13 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.02
LogP ≤ 5-3.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine triiodide?
The IUPAC name of N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine triiodide (CID 162095559) is N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine triiodide.
What is the SMILES notation for N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine triiodide?
The canonical SMILES for N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine triiodide is I[I-]I.NCCNCCNCCNCCN.
What is the InChIKey of N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine triiodide?
The InChIKey is PAZFGNRIUWSRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H23N5.I3/c9-1-3-11-5-7-13-8-6-12-4-2-10;1-3-2/h11-13H,1-10H2;/q;-1.
What are the key properties of N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine triiodide?
N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine triiodide has a molecular weight of 570.02 g/mol, XLogP of -3.55, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine triiodide is sourced from PubChem (CID 162095559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).