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

C8H22N4O — CID 23422463

IUPACN'-[2-[2-(2-aminoethylamino)ethoxy]ethyl]ethane-1,2-diamine
SMILESNCCNCCOCCNCCN
InChIInChI=1S/C8H22N4O/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-12H,1-10H2
InChIKeyOWIGKVIFHSZISN-UHFFFAOYSA-N
MW190.29 g/mol
LogP-1.90
Rot. Bonds10

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

N'-[2-[2-(2-aminoethylamino)ethoxy]ethyl]ethane-1,2-diamine (PubChem CID 23422463) has the molecular formula C8H22N4O and a molecular weight of 190.29 g/mol. Its IUPAC name is N'-[2-[2-(2-aminoethylamino)ethoxy]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-(2-aminoethylamino)ethoxy]ethyl]ethane-1,2-diamine
PubChem CID23422463
Molecular FormulaC8H22N4O
Molecular Weight190.29 g/mol
Exact Mass190.18
IUPAC NameN'-[2-[2-(2-aminoethylamino)ethoxy]ethyl]ethane-1,2-diamine
SMILESNCCNCCOCCNCCN
InChIInChI=1S/C8H22N4O/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-12H,1-10H2
InChIKeyOWIGKVIFHSZISN-UHFFFAOYSA-N
XLogP-1.90
TPSA85.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(2-aminoethylamino)ethoxy]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-(2-aminoethylamino)ethoxy]ethyl]ethane-1,2-diamine (CID 23422463) is N'-[2-[2-(2-aminoethylamino)ethoxy]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-(2-aminoethylamino)ethoxy]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-(2-aminoethylamino)ethoxy]ethyl]ethane-1,2-diamine is NCCNCCOCCNCCN.
What is the InChIKey of N'-[2-[2-(2-aminoethylamino)ethoxy]ethyl]ethane-1,2-diamine?
The InChIKey is OWIGKVIFHSZISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4O/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-12H,1-10H2.
What are the key properties of N'-[2-[2-(2-aminoethylamino)ethoxy]ethyl]ethane-1,2-diamine?
N'-[2-[2-(2-aminoethylamino)ethoxy]ethyl]ethane-1,2-diamine has a molecular weight of 190.29 g/mol, XLogP of -1.90, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(2-aminoethylamino)ethoxy]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 23422463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).