1-(5-bromofuran-2-yl)-N,5-dimethylhexan-1-amine

C12H20BrNO — CID 105028730

IUPAC1-(5-bromofuran-2-yl)-N,5-dimethylhexan-1-amine
SMILESCNC(CCCC(C)C)c1ccc(Br)o1
InChIInChI=1S/C12H20BrNO/c1-9(2)5-4-6-10(14-3)11-7-8-12(13)15-11/h7-10,14H,4-6H2,1-3H3
InChIKeyJQKWVEGYPMUZTH-UHFFFAOYSA-N
MW274.20 g/mol
LogP4.13
Rot. Bonds6

About 1-(5-bromofuran-2-yl)-N,5-dimethylhexan-1-amine

1-(5-bromofuran-2-yl)-N,5-dimethylhexan-1-amine (PubChem CID 105028730) has the molecular formula C12H20BrNO and a molecular weight of 274.20 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N,5-dimethylhexan-1-amine
PubChem CID105028730
Molecular FormulaC12H20BrNO
Molecular Weight274.20 g/mol
Exact Mass273.07
IUPAC Name1-(5-bromofuran-2-yl)-N,5-dimethylhexan-1-amine
SMILESCNC(CCCC(C)C)c1ccc(Br)o1
InChIInChI=1S/C12H20BrNO/c1-9(2)5-4-6-10(14-3)11-7-8-12(13)15-11/h7-10,14H,4-6H2,1-3H3
InChIKeyJQKWVEGYPMUZTH-UHFFFAOYSA-N
XLogP4.13
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromofuran-2-yl)-N,5-dimethylhexan-1-amine 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)-5-methylhexyl]hydrazine
CID 105331405
N-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine
CID 104652163
1-(5-bromofuran-2-yl)-N-methyl-3-phenylpropan-1-amine
CID 115793920
1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine
CID 61066395
1-(5-bromofuran-2-yl)hexylhydrazine
CID 105294743
1-(5-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65385832
1-(5-bromofuran-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine
CID 115841556
N,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116949510
1-(5-bromofuran-2-yl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62114221
N-[1-(5-bromofuran-2-yl)propyl]hydroxylamine
CID 130151575
1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051069
1-(5-ethylfuran-2-yl)-N-methylhexan-1-amine
CID 62346220

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N,5-dimethylhexan-1-amine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N,5-dimethylhexan-1-amine (CID 105028730) is 1-(5-bromofuran-2-yl)-N,5-dimethylhexan-1-amine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N,5-dimethylhexan-1-amine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N,5-dimethylhexan-1-amine is CNC(CCCC(C)C)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N,5-dimethylhexan-1-amine?
The InChIKey is JQKWVEGYPMUZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO/c1-9(2)5-4-6-10(14-3)11-7-8-12(13)15-11/h7-10,14H,4-6H2,1-3H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N,5-dimethylhexan-1-amine?
1-(5-bromofuran-2-yl)-N,5-dimethylhexan-1-amine has a molecular weight of 274.20 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N,5-dimethylhexan-1-amine is sourced from PubChem (CID 105028730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).