1-(4,5-dibromofuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine

C12H20Br2N2O — CID 63982675

IUPAC1-(4,5-dibromofuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(C)(C)N(C)C(CN)c1cc(Br)c(Br)o1
InChIInChI=1S/C12H20Br2N2O/c1-5-12(2,3)16(4)9(7-15)10-6-8(13)11(14)17-10/h6,9H,5,7,15H2,1-4H3
InChIKeyFDNMDDKXCCLEJA-UHFFFAOYSA-N
MW368.11 g/mol
LogP3.92
Rot. Bonds5

About 1-(4,5-dibromofuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine

1-(4,5-dibromofuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 63982675) has the molecular formula C12H20Br2N2O and a molecular weight of 368.11 g/mol. Its IUPAC name is 1-(4,5-dibromofuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4,5-dibromofuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID63982675
Molecular FormulaC12H20Br2N2O
Molecular Weight368.11 g/mol
Exact Mass365.99
IUPAC Name1-(4,5-dibromofuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(C)(C)N(C)C(CN)c1cc(Br)c(Br)o1
InChIInChI=1S/C12H20Br2N2O/c1-5-12(2,3)16(4)9(7-15)10-6-8(13)11(14)17-10/h6,9H,5,7,15H2,1-4H3
InChIKeyFDNMDDKXCCLEJA-UHFFFAOYSA-N
XLogP3.92
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.11
LogP ≤ 53.92
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-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-(4,5-dibromofuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine (CID 63982675) is 1-(4,5-dibromofuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4,5-dibromofuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(4,5-dibromofuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine is CCC(C)(C)N(C)C(CN)c1cc(Br)c(Br)o1.
What is the InChIKey of 1-(4,5-dibromofuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is FDNMDDKXCCLEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20Br2N2O/c1-5-12(2,3)16(4)9(7-15)10-6-8(13)11(14)17-10/h6,9H,5,7,15H2,1-4H3.
What are the key properties of 1-(4,5-dibromofuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
1-(4,5-dibromofuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 368.11 g/mol, XLogP of 3.92, 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-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 63982675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).