3-(2-butoxyethoxy)-N-methylcyclopentan-1-amine

C12H25NO2 — CID 79642433

IUPAC3-(2-butoxyethoxy)-N-methylcyclopentan-1-amine
SMILESCCCCOCCOC1CCC(NC)C1
InChIInChI=1S/C12H25NO2/c1-3-4-7-14-8-9-15-12-6-5-11(10-12)13-2/h11-13H,3-10H2,1-2H3
InChIKeyOXGHZPIITBNHQH-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds8

About 3-(2-butoxyethoxy)-N-methylcyclopentan-1-amine

3-(2-butoxyethoxy)-N-methylcyclopentan-1-amine (PubChem CID 79642433) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2-butoxyethoxy)-N-methylcyclopentan-1-amine
PubChem CID79642433
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-(2-butoxyethoxy)-N-methylcyclopentan-1-amine
SMILESCCCCOCCOC1CCC(NC)C1
InChIInChI=1S/C12H25NO2/c1-3-4-7-14-8-9-15-12-6-5-11(10-12)13-2/h11-13H,3-10H2,1-2H3
InChIKeyOXGHZPIITBNHQH-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-butoxyethoxy)-N-methylcyclopentan-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-butoxyethoxy)-N-methylcyclopentan-1-amine?
The IUPAC name of 3-(2-butoxyethoxy)-N-methylcyclopentan-1-amine (CID 79642433) is 3-(2-butoxyethoxy)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(2-butoxyethoxy)-N-methylcyclopentan-1-amine?
The canonical SMILES for 3-(2-butoxyethoxy)-N-methylcyclopentan-1-amine is CCCCOCCOC1CCC(NC)C1.
What is the InChIKey of 3-(2-butoxyethoxy)-N-methylcyclopentan-1-amine?
The InChIKey is OXGHZPIITBNHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-4-7-14-8-9-15-12-6-5-11(10-12)13-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 3-(2-butoxyethoxy)-N-methylcyclopentan-1-amine?
3-(2-butoxyethoxy)-N-methylcyclopentan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 79642433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).