1-(5-bromo-2-methylthiophen-3-yl)-2-propylpentan-1-amine

C13H22BrNS — CID 82984366

IUPAC1-(5-bromo-2-methylthiophen-3-yl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)c1cc(Br)sc1C
InChIInChI=1S/C13H22BrNS/c1-4-6-10(7-5-2)13(15)11-8-12(14)16-9(11)3/h8,10,13H,4-7,15H2,1-3H3
InChIKeyOEOUOIJQLGSMSN-UHFFFAOYSA-N
MW304.30 g/mol
LogP5.04
Rot. Bonds6

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

1-(5-bromo-2-methylthiophen-3-yl)-2-propylpentan-1-amine (PubChem CID 82984366) has the molecular formula C13H22BrNS and a molecular weight of 304.30 g/mol. Its IUPAC name is 1-(5-bromo-2-methylthiophen-3-yl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methylthiophen-3-yl)-2-propylpentan-1-amine
PubChem CID82984366
Molecular FormulaC13H22BrNS
Molecular Weight304.30 g/mol
Exact Mass303.07
IUPAC Name1-(5-bromo-2-methylthiophen-3-yl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)c1cc(Br)sc1C
InChIInChI=1S/C13H22BrNS/c1-4-6-10(7-5-2)13(15)11-8-12(14)16-9(11)3/h8,10,13H,4-7,15H2,1-3H3
InChIKeyOEOUOIJQLGSMSN-UHFFFAOYSA-N
XLogP5.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.30
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methylthiophen-3-yl)heptan-1-ol
CID 114753433
(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107961099
1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine
CID 82985514
1-(2,5-dibromophenyl)-2-propylpentan-1-amine
CID 82984674
1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine
CID 102763473
1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-amine
CID 82984479
N-[(5-bromo-2-methylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66475549
1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine
CID 103163188
1-(2,5-dibromothiophen-3-yl)decan-1-amine
CID 65447630
1-(5-bromo-2-methylthiophen-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
CID 79659826
1-(5-bromo-2-methylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207672
(5-bromo-2-methylthiophen-3-yl)-(4-chloro-2-methylphenyl)methanamine
CID 114027953

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylthiophen-3-yl)-2-propylpentan-1-amine?
The IUPAC name of 1-(5-bromo-2-methylthiophen-3-yl)-2-propylpentan-1-amine (CID 82984366) is 1-(5-bromo-2-methylthiophen-3-yl)-2-propylpentan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-methylthiophen-3-yl)-2-propylpentan-1-amine?
The canonical SMILES for 1-(5-bromo-2-methylthiophen-3-yl)-2-propylpentan-1-amine is CCCC(CCC)C(N)c1cc(Br)sc1C.
What is the InChIKey of 1-(5-bromo-2-methylthiophen-3-yl)-2-propylpentan-1-amine?
The InChIKey is OEOUOIJQLGSMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNS/c1-4-6-10(7-5-2)13(15)11-8-12(14)16-9(11)3/h8,10,13H,4-7,15H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methylthiophen-3-yl)-2-propylpentan-1-amine?
1-(5-bromo-2-methylthiophen-3-yl)-2-propylpentan-1-amine has a molecular weight of 304.30 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylthiophen-3-yl)-2-propylpentan-1-amine is sourced from PubChem (CID 82984366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).