3-ethoxy-2-ethyl-N-(2-methoxyethyl)-2-methylcyclobutan-1-amine

C12H25NO2 — CID 65170259

IUPAC3-ethoxy-2-ethyl-N-(2-methoxyethyl)-2-methylcyclobutan-1-amine
SMILESCCOC1CC(NCCOC)C1(C)CC
InChIInChI=1S/C12H25NO2/c1-5-12(3)10(13-7-8-14-4)9-11(12)15-6-2/h10-11,13H,5-9H2,1-4H3
InChIKeyKHCPQNLIQITBCU-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.82
Rot. Bonds7

About 3-ethoxy-2-ethyl-N-(2-methoxyethyl)-2-methylcyclobutan-1-amine

3-ethoxy-2-ethyl-N-(2-methoxyethyl)-2-methylcyclobutan-1-amine (PubChem CID 65170259) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-N-(2-methoxyethyl)-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-N-(2-methoxyethyl)-2-methylcyclobutan-1-amine
PubChem CID65170259
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-ethoxy-2-ethyl-N-(2-methoxyethyl)-2-methylcyclobutan-1-amine
SMILESCCOC1CC(NCCOC)C1(C)CC
InChIInChI=1S/C12H25NO2/c1-5-12(3)10(13-7-8-14-4)9-11(12)15-6-2/h10-11,13H,5-9H2,1-4H3
InChIKeyKHCPQNLIQITBCU-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-2-ethyl-N-(2-methoxyethyl)-2-methylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-ethyl-N-(2-methoxyethyl)-2-methylcyclobutan-1-amine (CID 65170259) is 3-ethoxy-2-ethyl-N-(2-methoxyethyl)-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-ethyl-N-(2-methoxyethyl)-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-ethyl-N-(2-methoxyethyl)-2-methylcyclobutan-1-amine is CCOC1CC(NCCOC)C1(C)CC.
What is the InChIKey of 3-ethoxy-2-ethyl-N-(2-methoxyethyl)-2-methylcyclobutan-1-amine?
The InChIKey is KHCPQNLIQITBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-12(3)10(13-7-8-14-4)9-11(12)15-6-2/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 3-ethoxy-2-ethyl-N-(2-methoxyethyl)-2-methylcyclobutan-1-amine?
3-ethoxy-2-ethyl-N-(2-methoxyethyl)-2-methylcyclobutan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-N-(2-methoxyethyl)-2-methylcyclobutan-1-amine is sourced from PubChem (CID 65170259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).