N'-[1-(5-bromofuran-2-yl)ethyl]-N,N'-dimethylethane-1,2-diamine

C10H17BrN2O — CID 104653793

IUPACN'-[1-(5-bromofuran-2-yl)ethyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)C(C)c1ccc(Br)o1
InChIInChI=1S/C10H17BrN2O/c1-8(13(3)7-6-12-2)9-4-5-10(11)14-9/h4-5,8,12H,6-7H2,1-3H3
InChIKeyFIXNLTDKWYQMIN-UHFFFAOYSA-N
MW261.16 g/mol
LogP2.25
Rot. Bonds5

About N'-[1-(5-bromofuran-2-yl)ethyl]-N,N'-dimethylethane-1,2-diamine

N'-[1-(5-bromofuran-2-yl)ethyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 104653793) has the molecular formula C10H17BrN2O and a molecular weight of 261.16 g/mol. Its IUPAC name is N'-[1-(5-bromofuran-2-yl)ethyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(5-bromofuran-2-yl)ethyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID104653793
Molecular FormulaC10H17BrN2O
Molecular Weight261.16 g/mol
Exact Mass260.05
IUPAC NameN'-[1-(5-bromofuran-2-yl)ethyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)C(C)c1ccc(Br)o1
InChIInChI=1S/C10H17BrN2O/c1-8(13(3)7-6-12-2)9-4-5-10(11)14-9/h4-5,8,12H,6-7H2,1-3H3
InChIKeyFIXNLTDKWYQMIN-UHFFFAOYSA-N
XLogP2.25
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(5-bromofuran-2-yl)ethyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[1-(5-bromofuran-2-yl)ethyl]-N,N'-dimethylethane-1,2-diamine (CID 104653793) is N'-[1-(5-bromofuran-2-yl)ethyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(5-bromofuran-2-yl)ethyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[1-(5-bromofuran-2-yl)ethyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)C(C)c1ccc(Br)o1.
What is the InChIKey of N'-[1-(5-bromofuran-2-yl)ethyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is FIXNLTDKWYQMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O/c1-8(13(3)7-6-12-2)9-4-5-10(11)14-9/h4-5,8,12H,6-7H2,1-3H3.
What are the key properties of N'-[1-(5-bromofuran-2-yl)ethyl]-N,N'-dimethylethane-1,2-diamine?
N'-[1-(5-bromofuran-2-yl)ethyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 261.16 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(5-bromofuran-2-yl)ethyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 104653793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).