2-(1-aminoethoxy)-3,3-dimethylbutan-2-ol

C8H19NO2 — CID 174661773

IUPAC2-(1-aminoethoxy)-3,3-dimethylbutan-2-ol
SMILESCC(N)OC(C)(O)C(C)(C)C
InChIInChI=1S/C8H19NO2/c1-6(9)11-8(5,10)7(2,3)4/h6,10H,9H2,1-5H3
InChIKeyOJJHYECXEPBAQY-UHFFFAOYSA-N
MW161.24 g/mol
LogP1.06
Rot. Bonds2

About 2-(1-aminoethoxy)-3,3-dimethylbutan-2-ol

2-(1-aminoethoxy)-3,3-dimethylbutan-2-ol (PubChem CID 174661773) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 2-(1-aminoethoxy)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name2-(1-aminoethoxy)-3,3-dimethylbutan-2-ol
PubChem CID174661773
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name2-(1-aminoethoxy)-3,3-dimethylbutan-2-ol
SMILESCC(N)OC(C)(O)C(C)(C)C
InChIInChI=1S/C8H19NO2/c1-6(9)11-8(5,10)7(2,3)4/h6,10H,9H2,1-5H3
InChIKeyOJJHYECXEPBAQY-UHFFFAOYSA-N
XLogP1.06
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 51.06
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

1-[(2-methylpropan-2-yl)oxy]ethanamine;hydrobromide
CID 173066924
1-(2-methylbutan-2-yloxy)ethanamine
CID 23371049
CID 87449255
CID 87449255
[2-(1-aminoethoxy)-3-methylbutan-2-yl]phosphonic acid
CID 173067047
1-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 87508995
5-amino-2,4,4-trimethylhexan-2-ol
CID 123389058
2-(3-aminobutan-2-yloxy)butan-2-ol
CID 87462188
1-aminopropane-1,2,2-triol
CID 89487611
2,5-bis(2-aminopropan-2-yloxy)hexane-3,4-dione
CID 163545555
1-(1,1-diphenylethoxy)ethanamine
CID 66761557
2-ethoxy-3,3-dimethylbutan-2-ol
CID 141378500
(2R)-2-amino-1,1-dimethoxypropan-1-ol
CID 54496613

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethoxy)-3,3-dimethylbutan-2-ol?
The IUPAC name of 2-(1-aminoethoxy)-3,3-dimethylbutan-2-ol (CID 174661773) is 2-(1-aminoethoxy)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 2-(1-aminoethoxy)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 2-(1-aminoethoxy)-3,3-dimethylbutan-2-ol is CC(N)OC(C)(O)C(C)(C)C.
What is the InChIKey of 2-(1-aminoethoxy)-3,3-dimethylbutan-2-ol?
The InChIKey is OJJHYECXEPBAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-6(9)11-8(5,10)7(2,3)4/h6,10H,9H2,1-5H3.
What are the key properties of 2-(1-aminoethoxy)-3,3-dimethylbutan-2-ol?
2-(1-aminoethoxy)-3,3-dimethylbutan-2-ol has a molecular weight of 161.24 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethoxy)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 174661773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).