1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine

C12H19Br2NS — CID 82985514

IUPAC1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H19Br2NS/c1-3-5-8(6-4-2)11(15)10-7-9(13)12(14)16-10/h7-8,11H,3-6,15H2,1-2H3
InChIKeyOUOPRCBZDQLFTG-UHFFFAOYSA-N
MW369.17 g/mol
LogP5.49
Rot. Bonds6

About 1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine

1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine (PubChem CID 82985514) has the molecular formula C12H19Br2NS and a molecular weight of 369.17 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine
PubChem CID82985514
Molecular FormulaC12H19Br2NS
Molecular Weight369.17 g/mol
Exact Mass366.96
IUPAC Name1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H19Br2NS/c1-3-5-8(6-4-2)11(15)10-7-9(13)12(14)16-10/h7-8,11H,3-6,15H2,1-2H3
InChIKeyOUOPRCBZDQLFTG-UHFFFAOYSA-N
XLogP5.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.17
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
CID 171235173
(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine
CID 130870793
1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine
CID 102763473
(1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine
CID 171215563
1-(5-bromo-4-methylthiophen-2-yl)-2-methylpentan-1-amine
CID 79992174
1-(4,5-dibromothiophen-2-yl)-2,2-dimethylbutan-1-amine
CID 80533046
(1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine
CID 131013810
1-(4,5-dibromothiophen-2-yl)heptan-1-ol
CID 114753442
2,3-dibromo-5-(1-bromododecyl)thiophene
CID 80534369
1-(5-bromo-2-methylthiophen-3-yl)-2-propylpentan-1-amine
CID 82984366
1-(4,5-dibromothiophen-2-yl)octan-1-ol
CID 80535373

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine (CID 82985514) is 1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine is CCCC(CCC)C(N)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine?
The InChIKey is OUOPRCBZDQLFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Br2NS/c1-3-5-8(6-4-2)11(15)10-7-9(13)12(14)16-10/h7-8,11H,3-6,15H2,1-2H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine?
1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine has a molecular weight of 369.17 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine is sourced from PubChem (CID 82985514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).