2-ethoxy-N-methyl-3-(3-methylbutoxy)cyclobutan-1-amine

C12H25NO2 — CID 104676142

IUPAC2-ethoxy-N-methyl-3-(3-methylbutoxy)cyclobutan-1-amine
SMILESCCOC1C(NC)CC1OCCC(C)C
InChIInChI=1S/C12H25NO2/c1-5-14-12-10(13-4)8-11(12)15-7-6-9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyMFLIWZPHKUFQDA-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.81
Rot. Bonds7

About 2-ethoxy-N-methyl-3-(3-methylbutoxy)cyclobutan-1-amine

2-ethoxy-N-methyl-3-(3-methylbutoxy)cyclobutan-1-amine (PubChem CID 104676142) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-3-(3-methylbutoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-methyl-3-(3-methylbutoxy)cyclobutan-1-amine
PubChem CID104676142
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-ethoxy-N-methyl-3-(3-methylbutoxy)cyclobutan-1-amine
SMILESCCOC1C(NC)CC1OCCC(C)C
InChIInChI=1S/C12H25NO2/c1-5-14-12-10(13-4)8-11(12)15-7-6-9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyMFLIWZPHKUFQDA-UHFFFAOYSA-N
XLogP1.81
TPSA30.49 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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-N-methyl-3-(3-methylbutoxy)cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-3-(3-methylbutoxy)cyclobutan-1-amine?
The IUPAC name of 2-ethoxy-N-methyl-3-(3-methylbutoxy)cyclobutan-1-amine (CID 104676142) is 2-ethoxy-N-methyl-3-(3-methylbutoxy)cyclobutan-1-amine.
What is the SMILES notation for 2-ethoxy-N-methyl-3-(3-methylbutoxy)cyclobutan-1-amine?
The canonical SMILES for 2-ethoxy-N-methyl-3-(3-methylbutoxy)cyclobutan-1-amine is CCOC1C(NC)CC1OCCC(C)C.
What is the InChIKey of 2-ethoxy-N-methyl-3-(3-methylbutoxy)cyclobutan-1-amine?
The InChIKey is MFLIWZPHKUFQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-14-12-10(13-4)8-11(12)15-7-6-9(2)3/h9-13H,5-8H2,1-4H3.
What are the key properties of 2-ethoxy-N-methyl-3-(3-methylbutoxy)cyclobutan-1-amine?
2-ethoxy-N-methyl-3-(3-methylbutoxy)cyclobutan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-3-(3-methylbutoxy)cyclobutan-1-amine is sourced from PubChem (CID 104676142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).