2-[2-(3-methylbutylamino)ethoxy]ethanol

C9H21NO2 — CID 28727325

IUPAC2-[2-(3-methylbutylamino)ethoxy]ethanol
SMILESCC(C)CCNCCOCCO
InChIInChI=1S/C9H21NO2/c1-9(2)3-4-10-5-7-12-8-6-11/h9-11H,3-8H2,1-2H3
InChIKeyKITSKWRGNSWQAR-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.63
Rot. Bonds8

About 2-[2-(3-methylbutylamino)ethoxy]ethanol

2-[2-(3-methylbutylamino)ethoxy]ethanol (PubChem CID 28727325) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-[2-(3-methylbutylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(3-methylbutylamino)ethoxy]ethanol
PubChem CID28727325
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-[2-(3-methylbutylamino)ethoxy]ethanol
SMILESCC(C)CCNCCOCCO
InChIInChI=1S/C9H21NO2/c1-9(2)3-4-10-5-7-12-8-6-11/h9-11H,3-8H2,1-2H3
InChIKeyKITSKWRGNSWQAR-UHFFFAOYSA-N
XLogP0.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-methylbutylamino)propoxy]ethanol
CID 103578781
2-[2-(3-methylbutoxy)ethylamino]ethanol
CID 61483708
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
3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine
CID 142623061
N-[2-(2-chloroethoxy)ethyl]-3-methylbutan-1-amine
CID 65024429
5-[2-(2-hydroxyethoxy)ethylamino]pentan-2-ol
CID 106130932
4-[2-(2-hydroxyethoxy)ethylamino]-3-methylbutan-1-ol
CID 66107039
2-[2-(2-methylpropoxyamino)ethoxy]ethanol
CID 82715522
2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428229
2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156860733

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylbutylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(3-methylbutylamino)ethoxy]ethanol (CID 28727325) is 2-[2-(3-methylbutylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(3-methylbutylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(3-methylbutylamino)ethoxy]ethanol is CC(C)CCNCCOCCO.
What is the InChIKey of 2-[2-(3-methylbutylamino)ethoxy]ethanol?
The InChIKey is KITSKWRGNSWQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-9(2)3-4-10-5-7-12-8-6-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-[2-(3-methylbutylamino)ethoxy]ethanol?
2-[2-(3-methylbutylamino)ethoxy]ethanol has a molecular weight of 175.27 g/mol, XLogP of 0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylbutylamino)ethoxy]ethanol is sourced from PubChem (CID 28727325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).