2-[2,2,2-tris(ethylamino)ethylamino]ethanol

C10H26N4O — CID 87217956

IUPAC2-[2,2,2-tris(ethylamino)ethylamino]ethanol
SMILESCCNC(CNCCO)(NCC)NCC
InChIInChI=1S/C10H26N4O/c1-4-12-10(13-5-2,14-6-3)9-11-7-8-15/h11-15H,4-9H2,1-3H3
InChIKeyTZUSSJVLMXAELB-UHFFFAOYSA-N
MW218.34 g/mol
LogP-0.95
Rot. Bonds10

About 2-[2,2,2-tris(ethylamino)ethylamino]ethanol

2-[2,2,2-tris(ethylamino)ethylamino]ethanol (PubChem CID 87217956) has the molecular formula C10H26N4O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[2,2,2-tris(ethylamino)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2,2,2-tris(ethylamino)ethylamino]ethanol
PubChem CID87217956
Molecular FormulaC10H26N4O
Molecular Weight218.34 g/mol
Exact Mass218.21
IUPAC Name2-[2,2,2-tris(ethylamino)ethylamino]ethanol
SMILESCCNC(CNCCO)(NCC)NCC
InChIInChI=1S/C10H26N4O/c1-4-12-10(13-5-2,14-6-3)9-11-7-8-15/h11-15H,4-9H2,1-3H3
InChIKeyTZUSSJVLMXAELB-UHFFFAOYSA-N
XLogP-0.95
TPSA68.35 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 5-0.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 2-[2,2,2-tris(ethylamino)ethylamino]ethanol?
The IUPAC name of 2-[2,2,2-tris(ethylamino)ethylamino]ethanol (CID 87217956) is 2-[2,2,2-tris(ethylamino)ethylamino]ethanol.
What is the SMILES notation for 2-[2,2,2-tris(ethylamino)ethylamino]ethanol?
The canonical SMILES for 2-[2,2,2-tris(ethylamino)ethylamino]ethanol is CCNC(CNCCO)(NCC)NCC.
What is the InChIKey of 2-[2,2,2-tris(ethylamino)ethylamino]ethanol?
The InChIKey is TZUSSJVLMXAELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4O/c1-4-12-10(13-5-2,14-6-3)9-11-7-8-15/h11-15H,4-9H2,1-3H3.
What are the key properties of 2-[2,2,2-tris(ethylamino)ethylamino]ethanol?
2-[2,2,2-tris(ethylamino)ethylamino]ethanol has a molecular weight of 218.34 g/mol, XLogP of -0.95, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2,2-tris(ethylamino)ethylamino]ethanol is sourced from PubChem (CID 87217956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).