2-(3-methoxy-3-methylbutoxy)ethanamine

C8H19NO2 — CID 103034469

IUPAC2-(3-methoxy-3-methylbutoxy)ethanamine
SMILESCOC(C)(C)CCOCCN
InChIInChI=1S/C8H19NO2/c1-8(2,10-3)4-6-11-7-5-9/h4-7,9H2,1-3H3
InChIKeyDMNLNLYBAZWLJL-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.78
Rot. Bonds6

About 2-(3-methoxy-3-methylbutoxy)ethanamine

2-(3-methoxy-3-methylbutoxy)ethanamine (PubChem CID 103034469) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylbutoxy)ethanamine.

Molecular Properties

Compound Name2-(3-methoxy-3-methylbutoxy)ethanamine
PubChem CID103034469
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name2-(3-methoxy-3-methylbutoxy)ethanamine
SMILESCOC(C)(C)CCOCCN
InChIInChI=1S/C8H19NO2/c1-8(2,10-3)4-6-11-7-5-9/h4-7,9H2,1-3H3
InChIKeyDMNLNLYBAZWLJL-UHFFFAOYSA-N
XLogP0.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxy-3-methylbutoxy)ethanamine?
The IUPAC name of 2-(3-methoxy-3-methylbutoxy)ethanamine (CID 103034469) is 2-(3-methoxy-3-methylbutoxy)ethanamine.
What is the SMILES notation for 2-(3-methoxy-3-methylbutoxy)ethanamine?
The canonical SMILES for 2-(3-methoxy-3-methylbutoxy)ethanamine is COC(C)(C)CCOCCN.
What is the InChIKey of 2-(3-methoxy-3-methylbutoxy)ethanamine?
The InChIKey is DMNLNLYBAZWLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-8(2,10-3)4-6-11-7-5-9/h4-7,9H2,1-3H3.
What are the key properties of 2-(3-methoxy-3-methylbutoxy)ethanamine?
2-(3-methoxy-3-methylbutoxy)ethanamine has a molecular weight of 161.24 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylbutoxy)ethanamine is sourced from PubChem (CID 103034469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).