1-(2-ethylbutoxy)ethanamine

C8H19NO — CID 23116029

IUPAC1-(2-ethylbutoxy)ethanamine
SMILESCCC(CC)COC(C)N
InChIInChI=1S/C8H19NO/c1-4-8(5-2)6-10-7(3)9/h7-8H,4-6,9H2,1-3H3
InChIKeyJIXMPMLTLQQZIQ-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.74
Rot. Bonds5

About 1-(2-ethylbutoxy)ethanamine

1-(2-ethylbutoxy)ethanamine (PubChem CID 23116029) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 1-(2-ethylbutoxy)ethanamine.

Molecular Properties

Compound Name1-(2-ethylbutoxy)ethanamine
PubChem CID23116029
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name1-(2-ethylbutoxy)ethanamine
SMILESCCC(CC)COC(C)N
InChIInChI=1S/C8H19NO/c1-4-8(5-2)6-10-7(3)9/h7-8H,4-6,9H2,1-3H3
InChIKeyJIXMPMLTLQQZIQ-UHFFFAOYSA-N
XLogP1.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.74
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-ethylbutoxy)ethanamine?
The IUPAC name of 1-(2-ethylbutoxy)ethanamine (CID 23116029) is 1-(2-ethylbutoxy)ethanamine.
What is the SMILES notation for 1-(2-ethylbutoxy)ethanamine?
The canonical SMILES for 1-(2-ethylbutoxy)ethanamine is CCC(CC)COC(C)N.
What is the InChIKey of 1-(2-ethylbutoxy)ethanamine?
The InChIKey is JIXMPMLTLQQZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-8(5-2)6-10-7(3)9/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 1-(2-ethylbutoxy)ethanamine?
1-(2-ethylbutoxy)ethanamine has a molecular weight of 145.25 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutoxy)ethanamine is sourced from PubChem (CID 23116029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).