1-(5-methylfuran-2-yl)-1-(oxolan-3-yloxy)butan-2-amine

C13H21NO3 — CID 55220622

IUPAC1-(5-methylfuran-2-yl)-1-(oxolan-3-yloxy)butan-2-amine
SMILESCCC(N)C(OC1CCOC1)c1ccc(C)o1
InChIInChI=1S/C13H21NO3/c1-3-11(14)13(12-5-4-9(2)16-12)17-10-6-7-15-8-10/h4-5,10-11,13H,3,6-8,14H2,1-2H3
InChIKeyPIHUIUKLVIAJKO-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.17
Rot. Bonds5

About 1-(5-methylfuran-2-yl)-1-(oxolan-3-yloxy)butan-2-amine

1-(5-methylfuran-2-yl)-1-(oxolan-3-yloxy)butan-2-amine (PubChem CID 55220622) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-1-(oxolan-3-yloxy)butan-2-amine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-1-(oxolan-3-yloxy)butan-2-amine
PubChem CID55220622
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(5-methylfuran-2-yl)-1-(oxolan-3-yloxy)butan-2-amine
SMILESCCC(N)C(OC1CCOC1)c1ccc(C)o1
InChIInChI=1S/C13H21NO3/c1-3-11(14)13(12-5-4-9(2)16-12)17-10-6-7-15-8-10/h4-5,10-11,13H,3,6-8,14H2,1-2H3
InChIKeyPIHUIUKLVIAJKO-UHFFFAOYSA-N
XLogP2.17
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-1-(oxolan-3-yloxy)butan-2-amine?
The IUPAC name of 1-(5-methylfuran-2-yl)-1-(oxolan-3-yloxy)butan-2-amine (CID 55220622) is 1-(5-methylfuran-2-yl)-1-(oxolan-3-yloxy)butan-2-amine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-1-(oxolan-3-yloxy)butan-2-amine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-1-(oxolan-3-yloxy)butan-2-amine is CCC(N)C(OC1CCOC1)c1ccc(C)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-1-(oxolan-3-yloxy)butan-2-amine?
The InChIKey is PIHUIUKLVIAJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-11(14)13(12-5-4-9(2)16-12)17-10-6-7-15-8-10/h4-5,10-11,13H,3,6-8,14H2,1-2H3.
What are the key properties of 1-(5-methylfuran-2-yl)-1-(oxolan-3-yloxy)butan-2-amine?
1-(5-methylfuran-2-yl)-1-(oxolan-3-yloxy)butan-2-amine has a molecular weight of 239.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-1-(oxolan-3-yloxy)butan-2-amine is sourced from PubChem (CID 55220622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).