5-[2-(2-hydroxyethoxy)ethylamino]pentan-2-ol

C9H21NO3 — CID 106130932

IUPAC5-[2-(2-hydroxyethoxy)ethylamino]pentan-2-ol
SMILESCC(O)CCCNCCOCCO
InChIInChI=1S/C9H21NO3/c1-9(12)3-2-4-10-5-7-13-8-6-11/h9-12H,2-8H2,1H3
InChIKeyAORZSWNFJCCCRD-UHFFFAOYSA-N
MW191.27 g/mol
LogP-0.25
Rot. Bonds9

About 5-[2-(2-hydroxyethoxy)ethylamino]pentan-2-ol

5-[2-(2-hydroxyethoxy)ethylamino]pentan-2-ol (PubChem CID 106130932) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 5-[2-(2-hydroxyethoxy)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name5-[2-(2-hydroxyethoxy)ethylamino]pentan-2-ol
PubChem CID106130932
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name5-[2-(2-hydroxyethoxy)ethylamino]pentan-2-ol
SMILESCC(O)CCCNCCOCCO
InChIInChI=1S/C9H21NO3/c1-9(12)3-2-4-10-5-7-13-8-6-11/h9-12H,2-8H2,1H3
InChIKeyAORZSWNFJCCCRD-UHFFFAOYSA-N
XLogP-0.25
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-hydroxypentylamino)pentan-2-ol
CID 141381726
2-[2-(3-methylbutylamino)ethoxy]ethanol
CID 28727325
2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol
CID 106045693
2-[3-(3-methylbutylamino)propoxy]ethanol
CID 103578781
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594890
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594464
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethanol
CID 123132110
2-[3-(2-propoxyethylamino)propoxy]ethanol
CID 106310032
5-(4-methoxybutylamino)pentan-2-ol
CID 106131000
2-[2-(heptylamino)ethoxy]ethanol
CID 4712323
2-[2-(dodecylamino)ethoxy]ethanol
CID 4546884
2-[2-(3-propoxypropylamino)ethoxy]ethanol
CID 82944061

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-hydroxyethoxy)ethylamino]pentan-2-ol?
The IUPAC name of 5-[2-(2-hydroxyethoxy)ethylamino]pentan-2-ol (CID 106130932) is 5-[2-(2-hydroxyethoxy)ethylamino]pentan-2-ol.
What is the SMILES notation for 5-[2-(2-hydroxyethoxy)ethylamino]pentan-2-ol?
The canonical SMILES for 5-[2-(2-hydroxyethoxy)ethylamino]pentan-2-ol is CC(O)CCCNCCOCCO.
What is the InChIKey of 5-[2-(2-hydroxyethoxy)ethylamino]pentan-2-ol?
The InChIKey is AORZSWNFJCCCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-9(12)3-2-4-10-5-7-13-8-6-11/h9-12H,2-8H2,1H3.
What are the key properties of 5-[2-(2-hydroxyethoxy)ethylamino]pentan-2-ol?
5-[2-(2-hydroxyethoxy)ethylamino]pentan-2-ol has a molecular weight of 191.27 g/mol, XLogP of -0.25, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-hydroxyethoxy)ethylamino]pentan-2-ol is sourced from PubChem (CID 106130932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).