1-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(1-hydroxyethyl)amino]ethanol

C10H26N4O2 — CID 19782324

IUPAC1-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(1-hydroxyethyl)amino]ethanol
SMILESCC(O)N(CCNCCNCCN)C(C)O
InChIInChI=1S/C10H26N4O2/c1-9(15)14(10(2)16)8-7-13-6-5-12-4-3-11/h9-10,12-13,15-16H,3-8,11H2,1-2H3
InChIKeyLYHXUXGEGUMRJI-UHFFFAOYSA-N
MW234.34 g/mol
LogP-1.90
Rot. Bonds10

About 1-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(1-hydroxyethyl)amino]ethanol

1-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(1-hydroxyethyl)amino]ethanol (PubChem CID 19782324) has the molecular formula C10H26N4O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(1-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name1-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(1-hydroxyethyl)amino]ethanol
PubChem CID19782324
Molecular FormulaC10H26N4O2
Molecular Weight234.34 g/mol
Exact Mass234.21
IUPAC Name1-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(1-hydroxyethyl)amino]ethanol
SMILESCC(O)N(CCNCCNCCN)C(C)O
InChIInChI=1S/C10H26N4O2/c1-9(15)14(10(2)16)8-7-13-6-5-12-4-3-11/h9-10,12-13,15-16H,3-8,11H2,1-2H3
InChIKeyLYHXUXGEGUMRJI-UHFFFAOYSA-N
XLogP-1.90
TPSA93.78 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 5-1.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(1-hydroxyethyl)amino]ethanol?
The IUPAC name of 1-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(1-hydroxyethyl)amino]ethanol (CID 19782324) is 1-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(1-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 1-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(1-hydroxyethyl)amino]ethanol?
The canonical SMILES for 1-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(1-hydroxyethyl)amino]ethanol is CC(O)N(CCNCCNCCN)C(C)O.
What is the InChIKey of 1-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(1-hydroxyethyl)amino]ethanol?
The InChIKey is LYHXUXGEGUMRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4O2/c1-9(15)14(10(2)16)8-7-13-6-5-12-4-3-11/h9-10,12-13,15-16H,3-8,11H2,1-2H3.
What are the key properties of 1-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(1-hydroxyethyl)amino]ethanol?
1-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(1-hydroxyethyl)amino]ethanol has a molecular weight of 234.34 g/mol, XLogP of -1.90, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(1-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 19782324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).