1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-ol

C9H21NO3 — CID 144781174

IUPAC1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-ol
SMILESCC(C)C(O)COCCOCCN
InChIInChI=1S/C9H21NO3/c1-8(2)9(11)7-13-6-5-12-4-3-10/h8-9,11H,3-7,10H2,1-2H3
InChIKeyQGOXFBWBJPHJIW-UHFFFAOYSA-N
MW191.27 g/mol
LogP-0.00
Rot. Bonds8

About 1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-ol

1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-ol (PubChem CID 144781174) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-ol
PubChem CID144781174
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-ol
SMILESCC(C)C(O)COCCOCCN
InChIInChI=1S/C9H21NO3/c1-8(2)9(11)7-13-6-5-12-4-3-10/h8-9,11H,3-7,10H2,1-2H3
InChIKeyQGOXFBWBJPHJIW-UHFFFAOYSA-N
XLogP-0.00
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethoxy)propan-2-ol;hydrochloride
CID 86645518
(1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol
CID 118402947
2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanamine
CID 103482563
2-(2-aminoethoxy)-1-(1-hydroxyethylamino)ethanol
CID 57197052
1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propan-2-yl formate
CID 176704831
2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;azane
CID 174533279
[1-[2-(2-aminoethoxy)ethoxy]-3,3-dimethylbutan-2-yl] carbamate
CID 175096885
1-[2-(2-aminoethoxy)ethoxy]butan-2-one;2,3-dimethylbutane;ethane
CID 142338769
3-methyl-1-[2-(oxiran-2-yl)ethoxy]butan-2-ol
CID 157311653
(2R)-1-[2-[2-[(2R)-2-amino-3-methylbutoxy]ethoxy]ethoxy]-3-methylbutan-2-amine
CID 101253534
1-(2-methoxyethoxy)butane-2,3-diol
CID 87403280
2-(2-aminoethoxy)ethanamine;azane
CID 87273439

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-ol?
The IUPAC name of 1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-ol (CID 144781174) is 1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-ol?
The canonical SMILES for 1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-ol is CC(C)C(O)COCCOCCN.
What is the InChIKey of 1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-ol?
The InChIKey is QGOXFBWBJPHJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-8(2)9(11)7-13-6-5-12-4-3-10/h8-9,11H,3-7,10H2,1-2H3.
What are the key properties of 1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-ol?
1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-ol has a molecular weight of 191.27 g/mol, XLogP of -0.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-ol is sourced from PubChem (CID 144781174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).