3-(2,5-dimethylfuran-3-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine

C14H25NO2 — CID 79830598

IUPAC3-(2,5-dimethylfuran-3-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
SMILESCOCCNCCC(C)(C)c1cc(C)oc1C
InChIInChI=1S/C14H25NO2/c1-11-10-13(12(2)17-11)14(3,4)6-7-15-8-9-16-5/h10,15H,6-9H2,1-5H3
InChIKeyQYZRUOOSWRCBRE-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.80
Rot. Bonds7

About 3-(2,5-dimethylfuran-3-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine

3-(2,5-dimethylfuran-3-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine (PubChem CID 79830598) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-(2,5-dimethylfuran-3-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethylfuran-3-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
PubChem CID79830598
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3-(2,5-dimethylfuran-3-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
SMILESCOCCNCCC(C)(C)c1cc(C)oc1C
InChIInChI=1S/C14H25NO2/c1-11-10-13(12(2)17-11)14(3,4)6-7-15-8-9-16-5/h10,15H,6-9H2,1-5H3
InChIKeyQYZRUOOSWRCBRE-UHFFFAOYSA-N
XLogP2.80
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylfuran-3-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine?
The IUPAC name of 3-(2,5-dimethylfuran-3-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine (CID 79830598) is 3-(2,5-dimethylfuran-3-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine.
What is the SMILES notation for 3-(2,5-dimethylfuran-3-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine?
The canonical SMILES for 3-(2,5-dimethylfuran-3-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine is COCCNCCC(C)(C)c1cc(C)oc1C.
What is the InChIKey of 3-(2,5-dimethylfuran-3-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine?
The InChIKey is QYZRUOOSWRCBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11-10-13(12(2)17-11)14(3,4)6-7-15-8-9-16-5/h10,15H,6-9H2,1-5H3.
What are the key properties of 3-(2,5-dimethylfuran-3-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine?
3-(2,5-dimethylfuran-3-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylfuran-3-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine is sourced from PubChem (CID 79830598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).