1-(4-bromo-5-methylthiophen-2-yl)-3-methylpentan-1-amine

C11H18BrNS — CID 102827028

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-3-methylpentan-1-amine
SMILESCCC(C)CC(N)c1cc(Br)c(C)s1
InChIInChI=1S/C11H18BrNS/c1-4-7(2)5-10(13)11-6-9(12)8(3)14-11/h6-7,10H,4-5,13H2,1-3H3
InChIKeyVOMFUAQSSKMPEW-UHFFFAOYSA-N
MW276.24 g/mol
LogP4.26
Rot. Bonds4

About 1-(4-bromo-5-methylthiophen-2-yl)-3-methylpentan-1-amine

1-(4-bromo-5-methylthiophen-2-yl)-3-methylpentan-1-amine (PubChem CID 102827028) has the molecular formula C11H18BrNS and a molecular weight of 276.24 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-3-methylpentan-1-amine
PubChem CID102827028
Molecular FormulaC11H18BrNS
Molecular Weight276.24 g/mol
Exact Mass275.03
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-3-methylpentan-1-amine
SMILESCCC(C)CC(N)c1cc(Br)c(C)s1
InChIInChI=1S/C11H18BrNS/c1-4-7(2)5-10(13)11-6-9(12)8(3)14-11/h6-7,10H,4-5,13H2,1-3H3
InChIKeyVOMFUAQSSKMPEW-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-amino-5-(4-bromo-5-methylthiophen-2-yl)-3-methylpentanoate
CID 102828928
(1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102839149
1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine
CID 102827056
2,3-dibromo-5-(1-bromo-3-methylpentyl)thiophene
CID 114876229
ethyl 5-amino-5-(4,5-dibromothiophen-2-yl)-3-methylpentanoate
CID 80535552
1-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 102839682
(1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine
CID 131013810
(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylpentan-1-amine
CID 115846126
1-(2-bromo-5-methylphenyl)-3-methylpentan-1-amine
CID 115846478
1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 102827024
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine
CID 102827158

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-3-methylpentan-1-amine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-3-methylpentan-1-amine (CID 102827028) is 1-(4-bromo-5-methylthiophen-2-yl)-3-methylpentan-1-amine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-3-methylpentan-1-amine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-3-methylpentan-1-amine is CCC(C)CC(N)c1cc(Br)c(C)s1.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-3-methylpentan-1-amine?
The InChIKey is VOMFUAQSSKMPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS/c1-4-7(2)5-10(13)11-6-9(12)8(3)14-11/h6-7,10H,4-5,13H2,1-3H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-3-methylpentan-1-amine?
1-(4-bromo-5-methylthiophen-2-yl)-3-methylpentan-1-amine has a molecular weight of 276.24 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-3-methylpentan-1-amine is sourced from PubChem (CID 102827028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).