1-(4,5-dibromofuran-2-yl)-N,N-diethylethane-1,2-diamine

C10H16Br2N2O — CID 62084855

IUPAC1-(4,5-dibromofuran-2-yl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)C(CN)c1cc(Br)c(Br)o1
InChIInChI=1S/C10H16Br2N2O/c1-3-14(4-2)8(6-13)9-5-7(11)10(12)15-9/h5,8H,3-4,6,13H2,1-2H3
InChIKeyNUNNPXBLUQVPEO-UHFFFAOYSA-N
MW340.06 g/mol
LogP3.15
Rot. Bonds5

About 1-(4,5-dibromofuran-2-yl)-N,N-diethylethane-1,2-diamine

1-(4,5-dibromofuran-2-yl)-N,N-diethylethane-1,2-diamine (PubChem CID 62084855) has the molecular formula C10H16Br2N2O and a molecular weight of 340.06 g/mol. Its IUPAC name is 1-(4,5-dibromofuran-2-yl)-N,N-diethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4,5-dibromofuran-2-yl)-N,N-diethylethane-1,2-diamine
PubChem CID62084855
Molecular FormulaC10H16Br2N2O
Molecular Weight340.06 g/mol
Exact Mass337.96
IUPAC Name1-(4,5-dibromofuran-2-yl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)C(CN)c1cc(Br)c(Br)o1
InChIInChI=1S/C10H16Br2N2O/c1-3-14(4-2)8(6-13)9-5-7(11)10(12)15-9/h5,8H,3-4,6,13H2,1-2H3
InChIKeyNUNNPXBLUQVPEO-UHFFFAOYSA-N
XLogP3.15
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.06
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromofuran-2-yl)-N,N-diethylethane-1,2-diamine?
The IUPAC name of 1-(4,5-dibromofuran-2-yl)-N,N-diethylethane-1,2-diamine (CID 62084855) is 1-(4,5-dibromofuran-2-yl)-N,N-diethylethane-1,2-diamine.
What is the SMILES notation for 1-(4,5-dibromofuran-2-yl)-N,N-diethylethane-1,2-diamine?
The canonical SMILES for 1-(4,5-dibromofuran-2-yl)-N,N-diethylethane-1,2-diamine is CCN(CC)C(CN)c1cc(Br)c(Br)o1.
What is the InChIKey of 1-(4,5-dibromofuran-2-yl)-N,N-diethylethane-1,2-diamine?
The InChIKey is NUNNPXBLUQVPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br2N2O/c1-3-14(4-2)8(6-13)9-5-7(11)10(12)15-9/h5,8H,3-4,6,13H2,1-2H3.
What are the key properties of 1-(4,5-dibromofuran-2-yl)-N,N-diethylethane-1,2-diamine?
1-(4,5-dibromofuran-2-yl)-N,N-diethylethane-1,2-diamine has a molecular weight of 340.06 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromofuran-2-yl)-N,N-diethylethane-1,2-diamine is sourced from PubChem (CID 62084855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).