2-methoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine

C11H23NO4 — CID 103176201

IUPAC2-methoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine
SMILESCOCCCOCCOC1CC(N)C1OC
InChIInChI=1S/C11H23NO4/c1-13-4-3-5-15-6-7-16-10-8-9(12)11(10)14-2/h9-11H,3-8,12H2,1-2H3
InChIKeyRHJITPZZMDTTJN-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.17
Rot. Bonds9

About 2-methoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine

2-methoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine (PubChem CID 103176201) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine
PubChem CID103176201
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name2-methoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine
SMILESCOCCCOCCOC1CC(N)C1OC
InChIInChI=1S/C11H23NO4/c1-13-4-3-5-15-6-7-16-10-8-9(12)11(10)14-2/h9-11H,3-8,12H2,1-2H3
InChIKeyRHJITPZZMDTTJN-UHFFFAOYSA-N
XLogP0.17
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-methoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine?
The IUPAC name of 2-methoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine (CID 103176201) is 2-methoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine.
What is the SMILES notation for 2-methoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine?
The canonical SMILES for 2-methoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine is COCCCOCCOC1CC(N)C1OC.
What is the InChIKey of 2-methoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine?
The InChIKey is RHJITPZZMDTTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-13-4-3-5-15-6-7-16-10-8-9(12)11(10)14-2/h9-11H,3-8,12H2,1-2H3.
What are the key properties of 2-methoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine?
2-methoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 0.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine is sourced from PubChem (CID 103176201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).