1-(5-methylfuran-2-yl)-1-pentan-2-yloxybutan-2-amine

C14H25NO2 — CID 102980652

IUPAC1-(5-methylfuran-2-yl)-1-pentan-2-yloxybutan-2-amine
SMILESCCCC(C)OC(c1ccc(C)o1)C(N)CC
InChIInChI=1S/C14H25NO2/c1-5-7-10(3)17-14(12(15)6-2)13-9-8-11(4)16-13/h8-10,12,14H,5-7,15H2,1-4H3
InChIKeyNCOFRRJXVQICQK-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.57
Rot. Bonds7

About 1-(5-methylfuran-2-yl)-1-pentan-2-yloxybutan-2-amine

1-(5-methylfuran-2-yl)-1-pentan-2-yloxybutan-2-amine (PubChem CID 102980652) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-1-pentan-2-yloxybutan-2-amine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-1-pentan-2-yloxybutan-2-amine
PubChem CID102980652
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(5-methylfuran-2-yl)-1-pentan-2-yloxybutan-2-amine
SMILESCCCC(C)OC(c1ccc(C)o1)C(N)CC
InChIInChI=1S/C14H25NO2/c1-5-7-10(3)17-14(12(15)6-2)13-9-8-11(4)16-13/h8-10,12,14H,5-7,15H2,1-4H3
InChIKeyNCOFRRJXVQICQK-UHFFFAOYSA-N
XLogP3.57
TPSA48.39 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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-1-pentan-2-yloxybutan-2-amine?
The IUPAC name of 1-(5-methylfuran-2-yl)-1-pentan-2-yloxybutan-2-amine (CID 102980652) is 1-(5-methylfuran-2-yl)-1-pentan-2-yloxybutan-2-amine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-1-pentan-2-yloxybutan-2-amine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-1-pentan-2-yloxybutan-2-amine is CCCC(C)OC(c1ccc(C)o1)C(N)CC.
What is the InChIKey of 1-(5-methylfuran-2-yl)-1-pentan-2-yloxybutan-2-amine?
The InChIKey is NCOFRRJXVQICQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-7-10(3)17-14(12(15)6-2)13-9-8-11(4)16-13/h8-10,12,14H,5-7,15H2,1-4H3.
What are the key properties of 1-(5-methylfuran-2-yl)-1-pentan-2-yloxybutan-2-amine?
1-(5-methylfuran-2-yl)-1-pentan-2-yloxybutan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-1-pentan-2-yloxybutan-2-amine is sourced from PubChem (CID 102980652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).