1-(3-bromo-5-methylthiophen-2-yl)-N,2-dimethylpentan-1-amine

C12H20BrNS — CID 65279348

IUPAC1-(3-bromo-5-methylthiophen-2-yl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)c1sc(C)cc1Br
InChIInChI=1S/C12H20BrNS/c1-5-6-8(2)11(14-4)12-10(13)7-9(3)15-12/h7-8,11,14H,5-6H2,1-4H3
InChIKeyHEMFNMZSOHIDJA-UHFFFAOYSA-N
MW290.27 g/mol
LogP4.52
Rot. Bonds5

About 1-(3-bromo-5-methylthiophen-2-yl)-N,2-dimethylpentan-1-amine

1-(3-bromo-5-methylthiophen-2-yl)-N,2-dimethylpentan-1-amine (PubChem CID 65279348) has the molecular formula C12H20BrNS and a molecular weight of 290.27 g/mol. Its IUPAC name is 1-(3-bromo-5-methylthiophen-2-yl)-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-methylthiophen-2-yl)-N,2-dimethylpentan-1-amine
PubChem CID65279348
Molecular FormulaC12H20BrNS
Molecular Weight290.27 g/mol
Exact Mass289.05
IUPAC Name1-(3-bromo-5-methylthiophen-2-yl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)c1sc(C)cc1Br
InChIInChI=1S/C12H20BrNS/c1-5-6-8(2)11(14-4)12-10(13)7-9(3)15-12/h7-8,11,14H,5-6H2,1-4H3
InChIKeyHEMFNMZSOHIDJA-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-methylthiophen-2-yl)-2-methylpentan-1-ol
CID 65278749
3-bromo-2-(1-bromo-2-propylpentyl)-5-methylthiophene
CID 82987176
1-(5-bromo-2-methoxy-4-methylphenyl)-N,2-dimethylpentan-1-amine
CID 65438768
1-(3-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 65279617
1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine
CID 115861224
1-(3-bromo-5-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 65278886
1-(3-bromo-5-methylthiophen-2-yl)-N-ethylnonan-1-amine
CID 65448785
1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-propylpentan-1-amine
CID 82984794
1-(3-bromo-5-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 65279032
1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine
CID 114013577
N-[1-(3-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 65278628
N,2-dimethyl-1-(3-methylphenyl)pentan-1-amine
CID 115789704

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-N,2-dimethylpentan-1-amine?
The IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-N,2-dimethylpentan-1-amine (CID 65279348) is 1-(3-bromo-5-methylthiophen-2-yl)-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-methylthiophen-2-yl)-N,2-dimethylpentan-1-amine?
The canonical SMILES for 1-(3-bromo-5-methylthiophen-2-yl)-N,2-dimethylpentan-1-amine is CCCC(C)C(NC)c1sc(C)cc1Br.
What is the InChIKey of 1-(3-bromo-5-methylthiophen-2-yl)-N,2-dimethylpentan-1-amine?
The InChIKey is HEMFNMZSOHIDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNS/c1-5-6-8(2)11(14-4)12-10(13)7-9(3)15-12/h7-8,11,14H,5-6H2,1-4H3.
What are the key properties of 1-(3-bromo-5-methylthiophen-2-yl)-N,2-dimethylpentan-1-amine?
1-(3-bromo-5-methylthiophen-2-yl)-N,2-dimethylpentan-1-amine has a molecular weight of 290.27 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylthiophen-2-yl)-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 65279348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).