1-(2,5-dimethylfuran-3-yl)-4-methoxy-4-methylpentan-1-amine

C13H23NO2 — CID 103031502

IUPAC1-(2,5-dimethylfuran-3-yl)-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)c1cc(C)oc1C
InChIInChI=1S/C13H23NO2/c1-9-8-11(10(2)16-9)12(14)6-7-13(3,4)15-5/h8,12H,6-7,14H2,1-5H3
InChIKeyXEURCMCEAYMDPB-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.10
Rot. Bonds5

About 1-(2,5-dimethylfuran-3-yl)-4-methoxy-4-methylpentan-1-amine

1-(2,5-dimethylfuran-3-yl)-4-methoxy-4-methylpentan-1-amine (PubChem CID 103031502) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-4-methoxy-4-methylpentan-1-amine
PubChem CID103031502
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(2,5-dimethylfuran-3-yl)-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)c1cc(C)oc1C
InChIInChI=1S/C13H23NO2/c1-9-8-11(10(2)16-9)12(14)6-7-13(3,4)15-5/h8,12H,6-7,14H2,1-5H3
InChIKeyXEURCMCEAYMDPB-UHFFFAOYSA-N
XLogP3.10
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-4-methoxy-4-methylpentan-1-amine (CID 103031502) is 1-(2,5-dimethylfuran-3-yl)-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-4-methoxy-4-methylpentan-1-amine is COC(C)(C)CCC(N)c1cc(C)oc1C.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-4-methoxy-4-methylpentan-1-amine?
The InChIKey is XEURCMCEAYMDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9-8-11(10(2)16-9)12(14)6-7-13(3,4)15-5/h8,12H,6-7,14H2,1-5H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-4-methoxy-4-methylpentan-1-amine?
1-(2,5-dimethylfuran-3-yl)-4-methoxy-4-methylpentan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103031502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).