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

C10H16Br2N2O — CID 65384977

IUPAC1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNC(CN)c1cc(Br)c(Br)o1
InChIInChI=1S/C10H16Br2N2O/c1-6(2)5-14-8(4-13)9-3-7(11)10(12)15-9/h3,6,8,14H,4-5,13H2,1-2H3
InChIKeyLLWZOVMXBFYJDS-UHFFFAOYSA-N
MW340.06 g/mol
LogP3.05
Rot. Bonds5

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

1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 65384977) 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-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID65384977
Molecular FormulaC10H16Br2N2O
Molecular Weight340.06 g/mol
Exact Mass337.96
IUPAC Name1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNC(CN)c1cc(Br)c(Br)o1
InChIInChI=1S/C10H16Br2N2O/c1-6(2)5-14-8(4-13)9-3-7(11)10(12)15-9/h3,6,8,14H,4-5,13H2,1-2H3
InChIKeyLLWZOVMXBFYJDS-UHFFFAOYSA-N
XLogP3.05
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.06
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65385832
1-(4,5-dibromofuran-2-yl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193812
1-(1-benzofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65383510
1-(3-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 106885776
N-[2-(cyclopenten-1-yl)ethyl]-1-(4,5-dibromofuran-2-yl)ethane-1,2-diamine
CID 106173166
1-(4,5-dibromofuran-2-yl)-N,N-diethylethane-1,2-diamine
CID 62084855
N-cyclopropyl-1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62085573
1-(4,5-dibromofuran-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
CID 62085222
1-(2-fluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65383918
1-(4,5-dibromofuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63982675
N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65384986
N-[(3-bromophenyl)methyl]-1-(4,5-dibromofuran-2-yl)-N-methylethane-1,2-diamine
CID 62085068

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine (CID 65384977) is 1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine is CC(C)CNC(CN)c1cc(Br)c(Br)o1.
What is the InChIKey of 1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is LLWZOVMXBFYJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br2N2O/c1-6(2)5-14-8(4-13)9-3-7(11)10(12)15-9/h3,6,8,14H,4-5,13H2,1-2H3.
What are the key properties of 1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 340.06 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 65384977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).