2-(3,3-dimethylbutoxy)ethanamine

C8H19NO — CID 26188613

IUPAC2-(3,3-dimethylbutoxy)ethanamine
SMILESCC(C)(C)CCOCCN
InChIInChI=1S/C8H19NO/c1-8(2,3)4-6-10-7-5-9/h4-7,9H2,1-3H3
InChIKeyVEGUVYJOAPADOI-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.40
Rot. Bonds4

About 2-(3,3-dimethylbutoxy)ethanamine

2-(3,3-dimethylbutoxy)ethanamine (PubChem CID 26188613) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)ethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)ethanamine
PubChem CID26188613
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name2-(3,3-dimethylbutoxy)ethanamine
SMILESCC(C)(C)CCOCCN
InChIInChI=1S/C8H19NO/c1-8(2,3)4-6-10-7-5-9/h4-7,9H2,1-3H3
InChIKeyVEGUVYJOAPADOI-UHFFFAOYSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)ethanamine?
The IUPAC name of 2-(3,3-dimethylbutoxy)ethanamine (CID 26188613) is 2-(3,3-dimethylbutoxy)ethanamine.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)ethanamine?
The canonical SMILES for 2-(3,3-dimethylbutoxy)ethanamine is CC(C)(C)CCOCCN.
What is the InChIKey of 2-(3,3-dimethylbutoxy)ethanamine?
The InChIKey is VEGUVYJOAPADOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-8(2,3)4-6-10-7-5-9/h4-7,9H2,1-3H3.
What are the key properties of 2-(3,3-dimethylbutoxy)ethanamine?
2-(3,3-dimethylbutoxy)ethanamine has a molecular weight of 145.25 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutoxy)ethanamine is sourced from PubChem (CID 26188613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).