2-[2,2-bis[bis(2-hydroxyethyl)amino]ethylamino]ethanol

C12H29N3O5 — CID 54251496

IUPAC2-[2,2-bis[bis(2-hydroxyethyl)amino]ethylamino]ethanol
SMILESOCCNCC(N(CCO)CCO)N(CCO)CCO
InChIInChI=1S/C12H29N3O5/c16-6-1-13-11-12(14(2-7-17)3-8-18)15(4-9-19)5-10-20/h12-13,16-20H,1-11H2
InChIKeyQXBFEIAQZCDKLU-UHFFFAOYSA-N
MW295.38 g/mol
LogP-3.53
Rot. Bonds14

About 2-[2,2-bis[bis(2-hydroxyethyl)amino]ethylamino]ethanol

2-[2,2-bis[bis(2-hydroxyethyl)amino]ethylamino]ethanol (PubChem CID 54251496) has the molecular formula C12H29N3O5 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[2,2-bis[bis(2-hydroxyethyl)amino]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2,2-bis[bis(2-hydroxyethyl)amino]ethylamino]ethanol
PubChem CID54251496
Molecular FormulaC12H29N3O5
Molecular Weight295.38 g/mol
Exact Mass295.21
IUPAC Name2-[2,2-bis[bis(2-hydroxyethyl)amino]ethylamino]ethanol
SMILESOCCNCC(N(CCO)CCO)N(CCO)CCO
InChIInChI=1S/C12H29N3O5/c16-6-1-13-11-12(14(2-7-17)3-8-18)15(4-9-19)5-10-20/h12-13,16-20H,1-11H2
InChIKeyQXBFEIAQZCDKLU-UHFFFAOYSA-N
XLogP-3.53
TPSA119.66 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.38
LogP ≤ 5-3.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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-bis[bis(2-hydroxyethyl)amino]ethylamino]ethanol?
The IUPAC name of 2-[2,2-bis[bis(2-hydroxyethyl)amino]ethylamino]ethanol (CID 54251496) is 2-[2,2-bis[bis(2-hydroxyethyl)amino]ethylamino]ethanol.
What is the SMILES notation for 2-[2,2-bis[bis(2-hydroxyethyl)amino]ethylamino]ethanol?
The canonical SMILES for 2-[2,2-bis[bis(2-hydroxyethyl)amino]ethylamino]ethanol is OCCNCC(N(CCO)CCO)N(CCO)CCO.
What is the InChIKey of 2-[2,2-bis[bis(2-hydroxyethyl)amino]ethylamino]ethanol?
The InChIKey is QXBFEIAQZCDKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O5/c16-6-1-13-11-12(14(2-7-17)3-8-18)15(4-9-19)5-10-20/h12-13,16-20H,1-11H2.
What are the key properties of 2-[2,2-bis[bis(2-hydroxyethyl)amino]ethylamino]ethanol?
2-[2,2-bis[bis(2-hydroxyethyl)amino]ethylamino]ethanol has a molecular weight of 295.38 g/mol, XLogP of -3.53, 14 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis[bis(2-hydroxyethyl)amino]ethylamino]ethanol is sourced from PubChem (CID 54251496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).