1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine

C11H19BrN4O — CID 83011979

IUPAC1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
SMILESCN1CCN(NC(CN)c2ccc(Br)o2)CC1
InChIInChI=1S/C11H19BrN4O/c1-15-4-6-16(7-5-15)14-9(8-13)10-2-3-11(12)17-10/h2-3,9,14H,4-8,13H2,1H3
InChIKeyXWLLBDPSZYDYHK-UHFFFAOYSA-N
MW303.20 g/mol
LogP0.79
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine

1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine (PubChem CID 83011979) has the molecular formula C11H19BrN4O and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
PubChem CID83011979
Molecular FormulaC11H19BrN4O
Molecular Weight303.20 g/mol
Exact Mass302.07
IUPAC Name1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
SMILESCN1CCN(NC(CN)c2ccc(Br)o2)CC1
InChIInChI=1S/C11H19BrN4O/c1-15-4-6-16(7-5-15)14-9(8-13)10-2-3-11(12)17-10/h2-3,9,14H,4-8,13H2,1H3
InChIKeyXWLLBDPSZYDYHK-UHFFFAOYSA-N
XLogP0.79
TPSA57.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine (CID 83011979) is 1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine is CN1CCN(NC(CN)c2ccc(Br)o2)CC1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
The InChIKey is XWLLBDPSZYDYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O/c1-15-4-6-16(7-5-15)14-9(8-13)10-2-3-11(12)17-10/h2-3,9,14H,4-8,13H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine has a molecular weight of 303.20 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 83011979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).