3-ethoxy-2-methoxy-N-(3-methylbut-2-enyl)cyclobutan-1-amine

C12H23NO2 — CID 106737143

IUPAC3-ethoxy-2-methoxy-N-(3-methylbut-2-enyl)cyclobutan-1-amine
SMILESCCOC1CC(NCC=C(C)C)C1OC
InChIInChI=1S/C12H23NO2/c1-5-15-11-8-10(12(11)14-4)13-7-6-9(2)3/h6,10-13H,5,7-8H2,1-4H3
InChIKeyMACUUNGBUFHFFG-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.73
Rot. Bonds6

About 3-ethoxy-2-methoxy-N-(3-methylbut-2-enyl)cyclobutan-1-amine

3-ethoxy-2-methoxy-N-(3-methylbut-2-enyl)cyclobutan-1-amine (PubChem CID 106737143) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-ethoxy-2-methoxy-N-(3-methylbut-2-enyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-methoxy-N-(3-methylbut-2-enyl)cyclobutan-1-amine
PubChem CID106737143
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-ethoxy-2-methoxy-N-(3-methylbut-2-enyl)cyclobutan-1-amine
SMILESCCOC1CC(NCC=C(C)C)C1OC
InChIInChI=1S/C12H23NO2/c1-5-15-11-8-10(12(11)14-4)13-7-6-9(2)3/h6,10-13H,5,7-8H2,1-4H3
InChIKeyMACUUNGBUFHFFG-UHFFFAOYSA-N
XLogP1.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methoxy-N-(3-methylbut-2-enyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-methoxy-N-(3-methylbut-2-enyl)cyclobutan-1-amine (CID 106737143) is 3-ethoxy-2-methoxy-N-(3-methylbut-2-enyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-methoxy-N-(3-methylbut-2-enyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-methoxy-N-(3-methylbut-2-enyl)cyclobutan-1-amine is CCOC1CC(NCC=C(C)C)C1OC.
What is the InChIKey of 3-ethoxy-2-methoxy-N-(3-methylbut-2-enyl)cyclobutan-1-amine?
The InChIKey is MACUUNGBUFHFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-15-11-8-10(12(11)14-4)13-7-6-9(2)3/h6,10-13H,5,7-8H2,1-4H3.
What are the key properties of 3-ethoxy-2-methoxy-N-(3-methylbut-2-enyl)cyclobutan-1-amine?
3-ethoxy-2-methoxy-N-(3-methylbut-2-enyl)cyclobutan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methoxy-N-(3-methylbut-2-enyl)cyclobutan-1-amine is sourced from PubChem (CID 106737143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).