[5-methyl-4-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine

C12H21NO2 — CID 62455126

IUPAC[5-methyl-4-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine
SMILESCCC(C)(C)OCc1cc(CN)oc1C
InChIInChI=1S/C12H21NO2/c1-5-12(3,4)14-8-10-6-11(7-13)15-9(10)2/h6H,5,7-8,13H2,1-4H3
InChIKeyFDVVBEMZOXIRPG-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.75
Rot. Bonds5

About [5-methyl-4-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine

[5-methyl-4-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine (PubChem CID 62455126) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is [5-methyl-4-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine
PubChem CID62455126
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name[5-methyl-4-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine
SMILESCCC(C)(C)OCc1cc(CN)oc1C
InChIInChI=1S/C12H21NO2/c1-5-12(3,4)14-8-10-6-11(7-13)15-9(10)2/h6H,5,7-8,13H2,1-4H3
InChIKeyFDVVBEMZOXIRPG-UHFFFAOYSA-N
XLogP2.75
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine?
The IUPAC name of [5-methyl-4-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine (CID 62455126) is [5-methyl-4-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine is CCC(C)(C)OCc1cc(CN)oc1C.
What is the InChIKey of [5-methyl-4-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine?
The InChIKey is FDVVBEMZOXIRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-12(3,4)14-8-10-6-11(7-13)15-9(10)2/h6H,5,7-8,13H2,1-4H3.
What are the key properties of [5-methyl-4-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine?
[5-methyl-4-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine has a molecular weight of 211.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine is sourced from PubChem (CID 62455126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).