2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-methylethanamine

C11H21NO — CID 103272937

IUPAC2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-methylethanamine
SMILESC/C=C/COC1(CCNC)CCC1
InChIInChI=1S/C11H21NO/c1-3-4-10-13-11(6-5-7-11)8-9-12-2/h3-4,12H,5-10H2,1-2H3/b4-3+
InChIKeyMMDRWASASMRSGX-ONEGZZNKSA-N
MW183.30 g/mol
LogP2.11
Rot. Bonds6

About 2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-methylethanamine

2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-methylethanamine (PubChem CID 103272937) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-methylethanamine
PubChem CID103272937
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-methylethanamine
SMILESC/C=C/COC1(CCNC)CCC1
InChIInChI=1S/C11H21NO/c1-3-4-10-13-11(6-5-7-11)8-9-12-2/h3-4,12H,5-10H2,1-2H3/b4-3+
InChIKeyMMDRWASASMRSGX-ONEGZZNKSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-methylethanamine?
The IUPAC name of 2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-methylethanamine (CID 103272937) is 2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-methylethanamine?
The canonical SMILES for 2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-methylethanamine is C/C=C/COC1(CCNC)CCC1.
What is the InChIKey of 2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-methylethanamine?
The InChIKey is MMDRWASASMRSGX-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-10-13-11(6-5-7-11)8-9-12-2/h3-4,12H,5-10H2,1-2H3/b4-3+.
What are the key properties of 2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-methylethanamine?
2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-methylethanamine has a molecular weight of 183.30 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-methylethanamine is sourced from PubChem (CID 103272937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).