2-methoxy-N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine

C12H25NO3 — CID 104675029

IUPAC2-methoxy-N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine
SMILESCNC1CC(OCCOC(C)(C)C)C1OC
InChIInChI=1S/C12H25NO3/c1-12(2,3)16-7-6-15-10-8-9(13-4)11(10)14-5/h9-11,13H,6-8H2,1-5H3
InChIKeyGMAJRMCKEFMPMA-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.19
Rot. Bonds6

About 2-methoxy-N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine

2-methoxy-N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine (PubChem CID 104675029) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-methoxy-N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine
PubChem CID104675029
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-methoxy-N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine
SMILESCNC1CC(OCCOC(C)(C)C)C1OC
InChIInChI=1S/C12H25NO3/c1-12(2,3)16-7-6-15-10-8-9(13-4)11(10)14-5/h9-11,13H,6-8H2,1-5H3
InChIKeyGMAJRMCKEFMPMA-UHFFFAOYSA-N
XLogP1.19
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine 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-methoxy-N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine?
The IUPAC name of 2-methoxy-N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine (CID 104675029) is 2-methoxy-N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine.
What is the SMILES notation for 2-methoxy-N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine?
The canonical SMILES for 2-methoxy-N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine is CNC1CC(OCCOC(C)(C)C)C1OC.
What is the InChIKey of 2-methoxy-N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine?
The InChIKey is GMAJRMCKEFMPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-12(2,3)16-7-6-15-10-8-9(13-4)11(10)14-5/h9-11,13H,6-8H2,1-5H3.
What are the key properties of 2-methoxy-N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine?
2-methoxy-N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine is sourced from PubChem (CID 104675029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).