1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C12H18Br2N2O — CID 105414898

IUPAC1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1(CNCc2cc(Br)c(Br)o2)CCC1
InChIInChI=1S/C12H18Br2N2O/c1-16(2)12(4-3-5-12)8-15-7-9-6-10(13)11(14)17-9/h6,15H,3-5,7-8H2,1-2H3
InChIKeyQHEGXWFGSGLQDF-UHFFFAOYSA-N
MW366.10 g/mol
LogP3.38
Rot. Bonds5

About 1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105414898) has the molecular formula C12H18Br2N2O and a molecular weight of 366.10 g/mol. Its IUPAC name is 1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105414898
Molecular FormulaC12H18Br2N2O
Molecular Weight366.10 g/mol
Exact Mass363.98
IUPAC Name1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1(CNCc2cc(Br)c(Br)o2)CCC1
InChIInChI=1S/C12H18Br2N2O/c1-16(2)12(4-3-5-12)8-15-7-9-6-10(13)11(14)17-9/h6,15H,3-5,7-8H2,1-2H3
InChIKeyQHEGXWFGSGLQDF-UHFFFAOYSA-N
XLogP3.38
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.10
LogP ≤ 53.38
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)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105414898) is 1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CN(C)C1(CNCc2cc(Br)c(Br)o2)CCC1.
What is the InChIKey of 1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is QHEGXWFGSGLQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N2O/c1-16(2)12(4-3-5-12)8-15-7-9-6-10(13)11(14)17-9/h6,15H,3-5,7-8H2,1-2H3.
What are the key properties of 1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 366.10 g/mol, XLogP of 3.38, 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)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105414898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).