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

C11H21NO2 — CID 114615844

IUPAC3-ethoxy-2-methoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine
SMILESC=C(C)CNC1CC(OCC)C1OC
InChIInChI=1S/C11H21NO2/c1-5-14-10-6-9(11(10)13-4)12-7-8(2)3/h9-12H,2,5-7H2,1,3-4H3
InChIKeyFRBDHDRNZSSJNH-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.34
Rot. Bonds6

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

3-ethoxy-2-methoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine (PubChem CID 114615844) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-ethoxy-2-methoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-methoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine
PubChem CID114615844
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-ethoxy-2-methoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine
SMILESC=C(C)CNC1CC(OCC)C1OC
InChIInChI=1S/C11H21NO2/c1-5-14-10-6-9(11(10)13-4)12-7-8(2)3/h9-12H,2,5-7H2,1,3-4H3
InChIKeyFRBDHDRNZSSJNH-UHFFFAOYSA-N
XLogP1.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.34
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-(2-methylprop-2-enyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-methoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine (CID 114615844) is 3-ethoxy-2-methoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-methoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-methoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine is C=C(C)CNC1CC(OCC)C1OC.
What is the InChIKey of 3-ethoxy-2-methoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine?
The InChIKey is FRBDHDRNZSSJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-14-10-6-9(11(10)13-4)12-7-8(2)3/h9-12H,2,5-7H2,1,3-4H3.
What are the key properties of 3-ethoxy-2-methoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine?
3-ethoxy-2-methoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.34, 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-(2-methylprop-2-enyl)cyclobutan-1-amine is sourced from PubChem (CID 114615844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).