1-(2-methylbutan-2-yloxy)ethanamine

C7H17NO — CID 23371049

IUPAC1-(2-methylbutan-2-yloxy)ethanamine
SMILESCCC(C)(C)OC(C)N
InChIInChI=1S/C7H17NO/c1-5-7(3,4)9-6(2)8/h6H,5,8H2,1-4H3
InChIKeyJPYDLMQUDKHNOR-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.50
Rot. Bonds3

About 1-(2-methylbutan-2-yloxy)ethanamine

1-(2-methylbutan-2-yloxy)ethanamine (PubChem CID 23371049) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yloxy)ethanamine.

Molecular Properties

Compound Name1-(2-methylbutan-2-yloxy)ethanamine
PubChem CID23371049
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name1-(2-methylbutan-2-yloxy)ethanamine
SMILESCCC(C)(C)OC(C)N
InChIInChI=1S/C7H17NO/c1-5-7(3,4)9-6(2)8/h6H,5,8H2,1-4H3
InChIKeyJPYDLMQUDKHNOR-UHFFFAOYSA-N
XLogP1.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yloxy)ethanamine?
The IUPAC name of 1-(2-methylbutan-2-yloxy)ethanamine (CID 23371049) is 1-(2-methylbutan-2-yloxy)ethanamine.
What is the SMILES notation for 1-(2-methylbutan-2-yloxy)ethanamine?
The canonical SMILES for 1-(2-methylbutan-2-yloxy)ethanamine is CCC(C)(C)OC(C)N.
What is the InChIKey of 1-(2-methylbutan-2-yloxy)ethanamine?
The InChIKey is JPYDLMQUDKHNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-5-7(3,4)9-6(2)8/h6H,5,8H2,1-4H3.
What are the key properties of 1-(2-methylbutan-2-yloxy)ethanamine?
1-(2-methylbutan-2-yloxy)ethanamine has a molecular weight of 131.22 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yloxy)ethanamine is sourced from PubChem (CID 23371049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).