2-(2-aminoethoxy)ethanol;3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]propan-1-amine

C18H44N4O6 — CID 88780481

IUPAC2-(2-aminoethoxy)ethanol;3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]propan-1-amine
SMILESNCCCOCCOCCNCCOCCOCCCN.NCCOCCO
InChIInChI=1S/C14H33N3O4.C4H11NO2/c15-3-1-7-18-11-13-20-9-5-17-6-10-21-14-12-19-8-2-4-16;5-1-3-7-4-2-6/h17H,1-16H2;6H,1-5H2
InChIKeyLAUMZZXROHFUJZ-UHFFFAOYSA-N
MW412.57 g/mol
LogP-1.71
Rot. Bonds22

About 2-(2-aminoethoxy)ethanol;3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]propan-1-amine

2-(2-aminoethoxy)ethanol;3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]propan-1-amine (PubChem CID 88780481) has the molecular formula C18H44N4O6 and a molecular weight of 412.57 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethanol;3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]propan-1-amine.

Molecular Properties

Compound Name2-(2-aminoethoxy)ethanol;3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]propan-1-amine
PubChem CID88780481
Molecular FormulaC18H44N4O6
Molecular Weight412.57 g/mol
Exact Mass412.33
IUPAC Name2-(2-aminoethoxy)ethanol;3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]propan-1-amine
SMILESNCCCOCCOCCNCCOCCOCCCN.NCCOCCO
InChIInChI=1S/C14H33N3O4.C4H11NO2/c15-3-1-7-18-11-13-20-9-5-17-6-10-21-14-12-19-8-2-4-16;5-1-3-7-4-2-6/h17H,1-16H2;6H,1-5H2
InChIKeyLAUMZZXROHFUJZ-UHFFFAOYSA-N
XLogP-1.71
TPSA156.47 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 5-1.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethoxy)ethanol;3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-[2-(2-aminoethylamino)ethoxy]ethoxy]ethoxy]ethanol
CID 19879172
2-[2-[3-[2-(2-aminoethoxy)ethoxy]propoxy]ethoxy]ethanol
CID 142386297
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594890
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594464
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethanol
CID 123132110
2-[3-(3-aminopropoxy)propoxy]ethanol
CID 87504728
2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine
CID 15792937
2-[2-(3-fluoropropylamino)ethoxy]ethanol
CID 81106075
N'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine
CID 123161317
4-[2-(3-aminopropoxy)ethoxy]butan-1-ol
CID 58517376
2-(2-aminoethoxy)ethanol;ethane;propane
CID 144692156
2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156860733

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)ethanol;3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]propan-1-amine?
The IUPAC name of 2-(2-aminoethoxy)ethanol;3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]propan-1-amine (CID 88780481) is 2-(2-aminoethoxy)ethanol;3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]propan-1-amine.
What is the SMILES notation for 2-(2-aminoethoxy)ethanol;3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]propan-1-amine?
The canonical SMILES for 2-(2-aminoethoxy)ethanol;3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]propan-1-amine is NCCCOCCOCCNCCOCCOCCCN.NCCOCCO.
What is the InChIKey of 2-(2-aminoethoxy)ethanol;3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]propan-1-amine?
The InChIKey is LAUMZZXROHFUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3O4.C4H11NO2/c15-3-1-7-18-11-13-20-9-5-17-6-10-21-14-12-19-8-2-4-16;5-1-3-7-4-2-6/h17H,1-16H2;6H,1-5H2.
What are the key properties of 2-(2-aminoethoxy)ethanol;3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]propan-1-amine?
2-(2-aminoethoxy)ethanol;3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]propan-1-amine has a molecular weight of 412.57 g/mol, XLogP of -1.71, 22 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)ethanol;3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]propan-1-amine is sourced from PubChem (CID 88780481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).