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

C12H25NO4 — CID 103176202

IUPAC2-ethoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine
SMILESCCOC1C(N)CC1OCCOCCCOC
InChIInChI=1S/C12H25NO4/c1-3-16-12-10(13)9-11(12)17-8-7-15-6-4-5-14-2/h10-12H,3-9,13H2,1-2H3
InChIKeyZXCPFGGXJNXJOI-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.56
Rot. Bonds10

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

2-ethoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine (PubChem CID 103176202) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-ethoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine
PubChem CID103176202
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name2-ethoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine
SMILESCCOC1C(N)CC1OCCOCCCOC
InChIInChI=1S/C12H25NO4/c1-3-16-12-10(13)9-11(12)17-8-7-15-6-4-5-14-2/h10-12H,3-9,13H2,1-2H3
InChIKeyZXCPFGGXJNXJOI-UHFFFAOYSA-N
XLogP0.56
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.56
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-ethoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine?
The IUPAC name of 2-ethoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine (CID 103176202) is 2-ethoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine.
What is the SMILES notation for 2-ethoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine?
The canonical SMILES for 2-ethoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine is CCOC1C(N)CC1OCCOCCCOC.
What is the InChIKey of 2-ethoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine?
The InChIKey is ZXCPFGGXJNXJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-3-16-12-10(13)9-11(12)17-8-7-15-6-4-5-14-2/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 2-ethoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine?
2-ethoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine has a molecular weight of 247.33 g/mol, XLogP of 0.56, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine is sourced from PubChem (CID 103176202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).