1-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine

C8H19NO2 — CID 87508995

IUPAC1-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
SMILESCC(N)OC(C)OC(C)(C)C
InChIInChI=1S/C8H19NO2/c1-6(9)10-7(2)11-8(3,4)5/h6-7H,9H2,1-5H3
InChIKeyCLPYWOYOMMRQCL-UHFFFAOYSA-N
MW161.24 g/mol
LogP1.47
Rot. Bonds3

About 1-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine

1-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine (PubChem CID 87508995) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 1-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine.

Molecular Properties

Compound Name1-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
PubChem CID87508995
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name1-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
SMILESCC(N)OC(C)OC(C)(C)C
InChIInChI=1S/C8H19NO2/c1-6(9)10-7(2)11-8(3,4)5/h6-7H,9H2,1-5H3
InChIKeyCLPYWOYOMMRQCL-UHFFFAOYSA-N
XLogP1.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
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
2,2-dimethyl-3-[1-[(2-methylpropan-2-yl)oxy]ethoxy]butane
CID 134572813
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]ethoxyalumane
CID 175098848
2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-amine
CID 134406960
1-(1-ethylperoxyethoxy)ethanamine
CID 174988103
1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate
CID 59371128
1-(2-methylbutan-2-yloxy)ethanamine
CID 23371049
2-amino-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 87381606
2-(1-aminoethoxy)-3,3-dimethylbutan-2-ol
CID 174661773
2-methyl-2-propan-2-yloxypropane;propan-2-ol
CID 88729747
[2-(1-aminoethoxy)-3-methylbutan-2-yl]phosphonic acid
CID 173067047
tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 91539834

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
The IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine (CID 87508995) is 1-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine.
What is the SMILES notation for 1-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
The canonical SMILES for 1-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine is CC(N)OC(C)OC(C)(C)C.
What is the InChIKey of 1-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
The InChIKey is CLPYWOYOMMRQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-6(9)10-7(2)11-8(3,4)5/h6-7H,9H2,1-5H3.
What are the key properties of 1-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
1-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine has a molecular weight of 161.24 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine is sourced from PubChem (CID 87508995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).