1-amino-1-(2-methylbutan-2-yloxy)ethanol

C7H17NO2 — CID 87134275

IUPAC1-amino-1-(2-methylbutan-2-yloxy)ethanol
SMILESCCC(C)(C)OC(C)(N)O
InChIInChI=1S/C7H17NO2/c1-5-6(2,3)10-7(4,8)9/h9H,5,8H2,1-4H3
InChIKeyPYQOFWIRNIPAIF-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.82
Rot. Bonds3

About 1-amino-1-(2-methylbutan-2-yloxy)ethanol

1-amino-1-(2-methylbutan-2-yloxy)ethanol (PubChem CID 87134275) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-amino-1-(2-methylbutan-2-yloxy)ethanol.

Molecular Properties

Compound Name1-amino-1-(2-methylbutan-2-yloxy)ethanol
PubChem CID87134275
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name1-amino-1-(2-methylbutan-2-yloxy)ethanol
SMILESCCC(C)(C)OC(C)(N)O
InChIInChI=1S/C7H17NO2/c1-5-6(2,3)10-7(4,8)9/h9H,5,8H2,1-4H3
InChIKeyPYQOFWIRNIPAIF-UHFFFAOYSA-N
XLogP0.82
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(2-methylbutan-2-yloxy)butane;hydrochloride
CID 87152227
sodium 2-methyl-2-(2-methylbutan-2-yloxy)butane
CID 24898418
methanol;2-methyl-2-(2-methylbutan-2-yloxy)butane;propan-2-ol
CID 137497560
2-aminobutan-2-ol;propane
CID 174346487
2-(2-methylbutan-2-yloxy)heptan-2-ol
CID 130236683
methanamine;2-methylbutan-2-ol
CID 142079467
hydrogen peroxide;2-hydroperoxy-2-methylbutane
CID 172708880
2-aminobutan-2-ol;N-methylmethanamine
CID 174452553
2-methylbutan-2-yl 2-methylpropaneperoxoate
CID 54000649
sodium;hydride;2-hydroperoxy-2-methylbutane
CID 175579970
CID 175267598
CID 175267598
2-methyl-2-(trideuteriomethoxy)butane
CID 71309614

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2-methylbutan-2-yloxy)ethanol?
The IUPAC name of 1-amino-1-(2-methylbutan-2-yloxy)ethanol (CID 87134275) is 1-amino-1-(2-methylbutan-2-yloxy)ethanol.
What is the SMILES notation for 1-amino-1-(2-methylbutan-2-yloxy)ethanol?
The canonical SMILES for 1-amino-1-(2-methylbutan-2-yloxy)ethanol is CCC(C)(C)OC(C)(N)O.
What is the InChIKey of 1-amino-1-(2-methylbutan-2-yloxy)ethanol?
The InChIKey is PYQOFWIRNIPAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-5-6(2,3)10-7(4,8)9/h9H,5,8H2,1-4H3.
What are the key properties of 1-amino-1-(2-methylbutan-2-yloxy)ethanol?
1-amino-1-(2-methylbutan-2-yloxy)ethanol has a molecular weight of 147.22 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2-methylbutan-2-yloxy)ethanol is sourced from PubChem (CID 87134275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).