[5-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine

C11H19NO2 — CID 62455317

IUPAC[5-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine
SMILESCCC(C)(C)OCc1ccc(CN)o1
InChIInChI=1S/C11H19NO2/c1-4-11(2,3)13-8-10-6-5-9(7-12)14-10/h5-6H,4,7-8,12H2,1-3H3
InChIKeyXXRYCBLLOBKUCY-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.44
Rot. Bonds5

About [5-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine

[5-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine (PubChem CID 62455317) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is [5-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine
PubChem CID62455317
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name[5-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine
SMILESCCC(C)(C)OCc1ccc(CN)o1
InChIInChI=1S/C11H19NO2/c1-4-11(2,3)13-8-10-6-5-9(7-12)14-10/h5-6H,4,7-8,12H2,1-3H3
InChIKeyXXRYCBLLOBKUCY-UHFFFAOYSA-N
XLogP2.44
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine?
The IUPAC name of [5-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine (CID 62455317) is [5-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine?
The canonical SMILES for [5-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine is CCC(C)(C)OCc1ccc(CN)o1.
What is the InChIKey of [5-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine?
The InChIKey is XXRYCBLLOBKUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-11(2,3)13-8-10-6-5-9(7-12)14-10/h5-6H,4,7-8,12H2,1-3H3.
What are the key properties of [5-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine?
[5-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine has a molecular weight of 197.28 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine is sourced from PubChem (CID 62455317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).