3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutan-1-amine

C13H27NO3 — CID 64850565

IUPAC3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCCOCCOC)C1(C)C
InChIInChI=1S/C13H27NO3/c1-5-17-12-10-11(13(12,2)3)14-6-7-16-9-8-15-4/h11-12,14H,5-10H2,1-4H3
InChIKeyJAZKRLKCGNJVGV-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.44
Rot. Bonds9

About 3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutan-1-amine

3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutan-1-amine (PubChem CID 64850565) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutan-1-amine
PubChem CID64850565
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCCOCCOC)C1(C)C
InChIInChI=1S/C13H27NO3/c1-5-17-12-10-11(13(12,2)3)14-6-7-16-9-8-15-4/h11-12,14H,5-10H2,1-4H3
InChIKeyJAZKRLKCGNJVGV-UHFFFAOYSA-N
XLogP1.44
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutan-1-amine (CID 64850565) is 3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutan-1-amine is CCOC1CC(NCCOCCOC)C1(C)C.
What is the InChIKey of 3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutan-1-amine?
The InChIKey is JAZKRLKCGNJVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-5-17-12-10-11(13(12,2)3)14-6-7-16-9-8-15-4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutan-1-amine?
3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutan-1-amine has a molecular weight of 245.36 g/mol, XLogP of 1.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 64850565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).