2-methoxy-N-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine

C12H25NO2 — CID 104674496

IUPAC2-methoxy-N-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine
SMILESCNC1CC(OC(C)CC(C)C)C1OC
InChIInChI=1S/C12H25NO2/c1-8(2)6-9(3)15-11-7-10(13-4)12(11)14-5/h8-13H,6-7H2,1-5H3
InChIKeyAPGOPNSQTAUJPX-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.81
Rot. Bonds6

About 2-methoxy-N-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine

2-methoxy-N-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine (PubChem CID 104674496) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methoxy-N-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine
PubChem CID104674496
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-methoxy-N-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine
SMILESCNC1CC(OC(C)CC(C)C)C1OC
InChIInChI=1S/C12H25NO2/c1-8(2)6-9(3)15-11-7-10(13-4)12(11)14-5/h8-13H,6-7H2,1-5H3
InChIKeyAPGOPNSQTAUJPX-UHFFFAOYSA-N
XLogP1.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine?
The IUPAC name of 2-methoxy-N-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine (CID 104674496) is 2-methoxy-N-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine.
What is the SMILES notation for 2-methoxy-N-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine?
The canonical SMILES for 2-methoxy-N-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine is CNC1CC(OC(C)CC(C)C)C1OC.
What is the InChIKey of 2-methoxy-N-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine?
The InChIKey is APGOPNSQTAUJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-8(2)6-9(3)15-11-7-10(13-4)12(11)14-5/h8-13H,6-7H2,1-5H3.
What are the key properties of 2-methoxy-N-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine?
2-methoxy-N-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine is sourced from PubChem (CID 104674496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).