3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-amine

C12H25NO2 — CID 66357822

IUPAC3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-amine
SMILESCCCCOCCOC1CC(N)C1(C)C
InChIInChI=1S/C12H25NO2/c1-4-5-6-14-7-8-15-11-9-10(13)12(11,2)3/h10-11H,4-9,13H2,1-3H3
InChIKeyKJDPMDSKCXNYOH-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.95
Rot. Bonds7

About 3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-amine

3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-amine (PubChem CID 66357822) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-amine
PubChem CID66357822
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-amine
SMILESCCCCOCCOC1CC(N)C1(C)C
InChIInChI=1S/C12H25NO2/c1-4-5-6-14-7-8-15-11-9-10(13)12(11,2)3/h10-11H,4-9,13H2,1-3H3
InChIKeyKJDPMDSKCXNYOH-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.95
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 3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-amine (CID 66357822) is 3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-amine is CCCCOCCOC1CC(N)C1(C)C.
What is the InChIKey of 3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-amine?
The InChIKey is KJDPMDSKCXNYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-5-6-14-7-8-15-11-9-10(13)12(11,2)3/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-amine?
3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66357822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).