1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]propan-2-ol

C12H28N2O4 — CID 168863790

IUPAC1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]propan-2-ol
SMILESCCC(N(CCO)CCO)N(CCO)CC(C)O
InChIInChI=1S/C12H28N2O4/c1-3-12(13(4-7-15)5-8-16)14(6-9-17)10-11(2)18/h11-12,15-18H,3-10H2,1-2H3
InChIKeyFZLFPQIXOLZIFY-UHFFFAOYSA-N
MW264.37 g/mol
LogP-1.32
Rot. Bonds11

About 1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]propan-2-ol

1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]propan-2-ol (PubChem CID 168863790) has the molecular formula C12H28N2O4 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]propan-2-ol
PubChem CID168863790
Molecular FormulaC12H28N2O4
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]propan-2-ol
SMILESCCC(N(CCO)CCO)N(CCO)CC(C)O
InChIInChI=1S/C12H28N2O4/c1-3-12(13(4-7-15)5-8-16)14(6-9-17)10-11(2)18/h11-12,15-18H,3-10H2,1-2H3
InChIKeyFZLFPQIXOLZIFY-UHFFFAOYSA-N
XLogP-1.32
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]propan-2-ol?
The IUPAC name of 1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]propan-2-ol (CID 168863790) is 1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]propan-2-ol.
What is the SMILES notation for 1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]propan-2-ol?
The canonical SMILES for 1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]propan-2-ol is CCC(N(CCO)CCO)N(CCO)CC(C)O.
What is the InChIKey of 1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]propan-2-ol?
The InChIKey is FZLFPQIXOLZIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O4/c1-3-12(13(4-7-15)5-8-16)14(6-9-17)10-11(2)18/h11-12,15-18H,3-10H2,1-2H3.
What are the key properties of 1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]propan-2-ol?
1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]propan-2-ol has a molecular weight of 264.37 g/mol, XLogP of -1.32, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]propan-2-ol is sourced from PubChem (CID 168863790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).