3-(2-ethoxyethoxy)-N-methylcyclobutan-1-amine

C9H19NO2 — CID 66356762

IUPAC3-(2-ethoxyethoxy)-N-methylcyclobutan-1-amine
SMILESCCOCCOC1CC(NC)C1
InChIInChI=1S/C9H19NO2/c1-3-11-4-5-12-9-6-8(7-9)10-2/h8-10H,3-7H2,1-2H3
InChIKeyYQGCLASJDPYNPA-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.79
Rot. Bonds6

About 3-(2-ethoxyethoxy)-N-methylcyclobutan-1-amine

3-(2-ethoxyethoxy)-N-methylcyclobutan-1-amine (PubChem CID 66356762) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-N-methylcyclobutan-1-amine
PubChem CID66356762
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-(2-ethoxyethoxy)-N-methylcyclobutan-1-amine
SMILESCCOCCOC1CC(NC)C1
InChIInChI=1S/C9H19NO2/c1-3-11-4-5-12-9-6-8(7-9)10-2/h8-10H,3-7H2,1-2H3
InChIKeyYQGCLASJDPYNPA-UHFFFAOYSA-N
XLogP0.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-ethoxyethoxy)-N-methylcyclobutan-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 3-(2-ethoxyethoxy)-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(2-ethoxyethoxy)-N-methylcyclobutan-1-amine (CID 66356762) is 3-(2-ethoxyethoxy)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-ethoxyethoxy)-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(2-ethoxyethoxy)-N-methylcyclobutan-1-amine is CCOCCOC1CC(NC)C1.
What is the InChIKey of 3-(2-ethoxyethoxy)-N-methylcyclobutan-1-amine?
The InChIKey is YQGCLASJDPYNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-11-4-5-12-9-6-8(7-9)10-2/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-(2-ethoxyethoxy)-N-methylcyclobutan-1-amine?
3-(2-ethoxyethoxy)-N-methylcyclobutan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 66356762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).