3-ethoxy-2,2-dimethyl-N-(2-methylpropoxy)cyclobutan-1-amine

C12H25NO2 — CID 82709834

IUPAC3-ethoxy-2,2-dimethyl-N-(2-methylpropoxy)cyclobutan-1-amine
SMILESCCOC1CC(NOCC(C)C)C1(C)C
InChIInChI=1S/C12H25NO2/c1-6-14-11-7-10(12(11,4)5)13-15-8-9(2)3/h9-11,13H,6-8H2,1-5H3
InChIKeyXPZNJRYHXTYQLB-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.37
Rot. Bonds6

About 3-ethoxy-2,2-dimethyl-N-(2-methylpropoxy)cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-(2-methylpropoxy)cyclobutan-1-amine (PubChem CID 82709834) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-(2-methylpropoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-(2-methylpropoxy)cyclobutan-1-amine
PubChem CID82709834
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-ethoxy-2,2-dimethyl-N-(2-methylpropoxy)cyclobutan-1-amine
SMILESCCOC1CC(NOCC(C)C)C1(C)C
InChIInChI=1S/C12H25NO2/c1-6-14-11-7-10(12(11,4)5)13-15-8-9(2)3/h9-11,13H,6-8H2,1-5H3
InChIKeyXPZNJRYHXTYQLB-UHFFFAOYSA-N
XLogP2.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-(2-methylpropoxy)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-(2-methylpropoxy)cyclobutan-1-amine (CID 82709834) is 3-ethoxy-2,2-dimethyl-N-(2-methylpropoxy)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-(2-methylpropoxy)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-(2-methylpropoxy)cyclobutan-1-amine is CCOC1CC(NOCC(C)C)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-(2-methylpropoxy)cyclobutan-1-amine?
The InChIKey is XPZNJRYHXTYQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-14-11-7-10(12(11,4)5)13-15-8-9(2)3/h9-11,13H,6-8H2,1-5H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-(2-methylpropoxy)cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-(2-methylpropoxy)cyclobutan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-(2-methylpropoxy)cyclobutan-1-amine is sourced from PubChem (CID 82709834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).