2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol

C9H23NO4 — CID 158071262

IUPAC2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol
SMILESOCCCCCO.OCCNCCO
InChIInChI=1S/C5H12O2.C4H11NO2/c6-4-2-1-3-5-7;6-3-1-5-2-4-7/h6-7H,1-5H2;5-7H,1-4H2
InChIKeyFLVQEWGJVDKPGZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP-1.30
Rot. Bonds8

About 2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol

2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol (PubChem CID 158071262) has the molecular formula C9H23NO4 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol
PubChem CID158071262
Molecular FormulaC9H23NO4
Molecular Weight209.29 g/mol
Exact Mass209.16
IUPAC Name2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol
SMILESOCCCCCO.OCCNCCO
InChIInChI=1S/C5H12O2.C4H11NO2/c6-4-2-1-3-5-7;6-3-1-5-2-4-7/h6-7H,1-5H2;5-7H,1-4H2
InChIKeyFLVQEWGJVDKPGZ-UHFFFAOYSA-N
XLogP-1.30
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-1.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dodecan-1-ol;2-(2-hydroxyethylamino)ethanol
CID 174424821
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol
CID 178169165
2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride
CID 87137347
2-(ethylamino)ethanol;hexadecan-1-ol
CID 174880813
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
tricosane-1,23-diol
CID 25144332
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol (CID 158071262) is 2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol is OCCCCCO.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol?
The InChIKey is FLVQEWGJVDKPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.C4H11NO2/c6-4-2-1-3-5-7;6-3-1-5-2-4-7/h6-7H,1-5H2;5-7H,1-4H2.
What are the key properties of 2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol?
2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol has a molecular weight of 209.29 g/mol, XLogP of -1.30, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol is sourced from PubChem (CID 158071262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).