bis[(5-methylfuran-2-yl)methyl]-propylazanium

C15H22NO2+ — CID 7323737

IUPACbis[(5-methylfuran-2-yl)methyl]-propylazanium
SMILESCCC[NH+](Cc1ccc(C)o1)Cc1ccc(C)o1
InChIInChI=1S/C15H21NO2/c1-4-9-16(10-14-7-5-12(2)17-14)11-15-8-6-13(3)18-15/h5-8H,4,9-11H2,1-3H3/p+1
InChIKeyQOQUJAVJUYJFCZ-UHFFFAOYSA-O
MW248.35 g/mol
LogP2.48
Rot. Bonds6

About bis[(5-methylfuran-2-yl)methyl]-propylazanium

bis[(5-methylfuran-2-yl)methyl]-propylazanium (PubChem CID 7323737) has the molecular formula C15H22NO2+ and a molecular weight of 248.35 g/mol. Its IUPAC name is bis[(5-methylfuran-2-yl)methyl]-propylazanium.

Molecular Properties

Compound Namebis[(5-methylfuran-2-yl)methyl]-propylazanium
PubChem CID7323737
Molecular FormulaC15H22NO2+
Molecular Weight248.35 g/mol
Exact Mass248.16
IUPAC Namebis[(5-methylfuran-2-yl)methyl]-propylazanium
SMILESCCC[NH+](Cc1ccc(C)o1)Cc1ccc(C)o1
InChIInChI=1S/C15H21NO2/c1-4-9-16(10-14-7-5-12(2)17-14)11-15-8-6-13(3)18-15/h5-8H,4,9-11H2,1-3H3/p+1
InChIKeyQOQUJAVJUYJFCZ-UHFFFAOYSA-O
XLogP2.48
TPSA30.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis[(5-methylfuran-2-yl)methyl]-propylazanium?
The IUPAC name of bis[(5-methylfuran-2-yl)methyl]-propylazanium (CID 7323737) is bis[(5-methylfuran-2-yl)methyl]-propylazanium.
What is the SMILES notation for bis[(5-methylfuran-2-yl)methyl]-propylazanium?
The canonical SMILES for bis[(5-methylfuran-2-yl)methyl]-propylazanium is CCC[NH+](Cc1ccc(C)o1)Cc1ccc(C)o1.
What is the InChIKey of bis[(5-methylfuran-2-yl)methyl]-propylazanium?
The InChIKey is QOQUJAVJUYJFCZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21NO2/c1-4-9-16(10-14-7-5-12(2)17-14)11-15-8-6-13(3)18-15/h5-8H,4,9-11H2,1-3H3/p+1.
What are the key properties of bis[(5-methylfuran-2-yl)methyl]-propylazanium?
bis[(5-methylfuran-2-yl)methyl]-propylazanium has a molecular weight of 248.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(5-methylfuran-2-yl)methyl]-propylazanium is sourced from PubChem (CID 7323737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).