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

C8H23N5 — CID 8197

IUPACN'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
SMILESNCCNCCNCCNCCN
InChIInChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2
InChIKeyFAGUFWYHJQFNRV-UHFFFAOYSA-N
MW189.31 g/mol
LogP-2.33
Rot. Bonds10

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

N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 8197) has the molecular formula C8H23N5 and a molecular weight of 189.31 g/mol. Its IUPAC name is N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
PubChem CID8197
Molecular FormulaC8H23N5
Molecular Weight189.31 g/mol
Exact Mass189.20
IUPAC NameN'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
SMILESNCCNCCNCCNCCN
InChIInChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2
InChIKeyFAGUFWYHJQFNRV-UHFFFAOYSA-N
XLogP-2.33
TPSA88.13 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.31
LogP ≤ 5-2.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Triethylenetetramine
CID 5565
Diethylenetriamine
CID 8111
Trientine Hydrochloride
CID 71433
N,N'-bis(3-aminopropyl)ethylenediamine
CID 25378
Colestipol Hydrochloride
CID 3084661
Trientine Tetrahydrochloride
CID 71434
Triethylethylenediamine
CID 66040
N,N'-Bis(2-aminoethyl)-1,3-propanediamine
CID 78479
Pentaethylenehexamine
CID 19990
1,4,8,11-Tetraazacyclotetradecane
CID 64964
1,4,7,10-Tetraazacyclododecane
CID 64963
Tris(2-aminoethyl)amine
CID 77731

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine (CID 8197) is N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine is NCCNCCNCCNCCN.
What is the InChIKey of N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is FAGUFWYHJQFNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2.
What are the key properties of N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine?
N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 189.31 g/mol, XLogP of -2.33, 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 is sourced from PubChem (CID 8197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).