2-[2-(3-methylbutoxy)ethylamino]ethanol

C9H21NO2 — CID 61483708

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

About 2-[2-(3-methylbutoxy)ethylamino]ethanol

2-[2-(3-methylbutoxy)ethylamino]ethanol (PubChem CID 61483708) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-[2-(3-methylbutoxy)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(3-methylbutoxy)ethylamino]ethanol
PubChem CID61483708
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-[2-(3-methylbutoxy)ethylamino]ethanol
SMILESCC(C)CCOCCNCCO
InChIInChI=1S/C9H21NO2/c1-9(2)3-7-12-8-5-10-4-6-11/h9-11H,3-8H2,1-2H3
InChIKeyQRRQEEGBIGLXEB-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-[2-(3-methylbutylamino)ethoxy]ethanol
CID 28727325
N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine
CID 62336857
N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155459726
N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 61483947
2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428229
N-[2-(3-methylbutoxy)ethyl]but-3-yn-1-amine
CID 63656269
2-methyl-3-[2-(3-methylbutoxy)ethylamino]propane-1,2-diol
CID 66187180
3-methyl-N-[2-(3-methylbutoxy)ethyl]-2-propan-2-ylbutan-1-amine
CID 102905338
5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 107319913
2-[3-(3-methylbutylamino)propoxy]ethanol
CID 103578781
4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine
CID 115513651
N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine
CID 61483668

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylbutoxy)ethylamino]ethanol?
The IUPAC name of 2-[2-(3-methylbutoxy)ethylamino]ethanol (CID 61483708) is 2-[2-(3-methylbutoxy)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(3-methylbutoxy)ethylamino]ethanol?
The canonical SMILES for 2-[2-(3-methylbutoxy)ethylamino]ethanol is CC(C)CCOCCNCCO.
What is the InChIKey of 2-[2-(3-methylbutoxy)ethylamino]ethanol?
The InChIKey is QRRQEEGBIGLXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-9(2)3-7-12-8-5-10-4-6-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-[2-(3-methylbutoxy)ethylamino]ethanol?
2-[2-(3-methylbutoxy)ethylamino]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-methylbutoxy)ethylamino]ethanol is sourced from PubChem (CID 61483708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).