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

C13H20Br2N2O — CID 62084882

IUPACN-cyclopentyl-1-(4,5-dibromofuran-2-yl)-N-ethylethane-1,2-diamine
SMILESCCN(C1CCCC1)C(CN)c1cc(Br)c(Br)o1
InChIInChI=1S/C13H20Br2N2O/c1-2-17(9-5-3-4-6-9)11(8-16)12-7-10(14)13(15)18-12/h7,9,11H,2-6,8,16H2,1H3
InChIKeyOQSRDFQMTGKLAI-UHFFFAOYSA-N
MW380.12 g/mol
LogP4.07
Rot. Bonds5

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

N-cyclopentyl-1-(4,5-dibromofuran-2-yl)-N-ethylethane-1,2-diamine (PubChem CID 62084882) has the molecular formula C13H20Br2N2O and a molecular weight of 380.12 g/mol. Its IUPAC name is N-cyclopentyl-1-(4,5-dibromofuran-2-yl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopentyl-1-(4,5-dibromofuran-2-yl)-N-ethylethane-1,2-diamine
PubChem CID62084882
Molecular FormulaC13H20Br2N2O
Molecular Weight380.12 g/mol
Exact Mass377.99
IUPAC NameN-cyclopentyl-1-(4,5-dibromofuran-2-yl)-N-ethylethane-1,2-diamine
SMILESCCN(C1CCCC1)C(CN)c1cc(Br)c(Br)o1
InChIInChI=1S/C13H20Br2N2O/c1-2-17(9-5-3-4-6-9)11(8-16)12-7-10(14)13(15)18-12/h7,9,11H,2-6,8,16H2,1H3
InChIKeyOQSRDFQMTGKLAI-UHFFFAOYSA-N
XLogP4.07
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.12
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(4,5-dibromofuran-2-yl)-N-ethylethane-1,2-diamine?
The IUPAC name of N-cyclopentyl-1-(4,5-dibromofuran-2-yl)-N-ethylethane-1,2-diamine (CID 62084882) is N-cyclopentyl-1-(4,5-dibromofuran-2-yl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for N-cyclopentyl-1-(4,5-dibromofuran-2-yl)-N-ethylethane-1,2-diamine?
The canonical SMILES for N-cyclopentyl-1-(4,5-dibromofuran-2-yl)-N-ethylethane-1,2-diamine is CCN(C1CCCC1)C(CN)c1cc(Br)c(Br)o1.
What is the InChIKey of N-cyclopentyl-1-(4,5-dibromofuran-2-yl)-N-ethylethane-1,2-diamine?
The InChIKey is OQSRDFQMTGKLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Br2N2O/c1-2-17(9-5-3-4-6-9)11(8-16)12-7-10(14)13(15)18-12/h7,9,11H,2-6,8,16H2,1H3.
What are the key properties of N-cyclopentyl-1-(4,5-dibromofuran-2-yl)-N-ethylethane-1,2-diamine?
N-cyclopentyl-1-(4,5-dibromofuran-2-yl)-N-ethylethane-1,2-diamine has a molecular weight of 380.12 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(4,5-dibromofuran-2-yl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 62084882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).