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

2-Bromo-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 44447170
2-(4-Bromophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
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1-(5-Bromothiophen-2-yl)ethan-1-amine
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(1R)-1-(5-bromothiophen-2-yl)ethan-1-amine hydrochloride
CID 75412140
(1S)-1-(5-bromothiophen-2-yl)ethan-1-amine hydrochloride
CID 75412141
rac-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine hydrochloride
CID 91647607
1-(5-Bromothiophen-2-yl)ethan-1-amine hydrochloride
CID 135377536
1-(2,5-Dimethylthiophen-3-yl)ethan-1-amine
CID 3614460
2-(1-Amino-2-ethylbutyl)thiophene hydrochloride
CID 45791873
1-(2,5-Dimethylthiophen-3-yl)ethan-1-amine hydrochloride
CID 71757900
(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine
CID 91647608
2-(4-Bromophenyl)-1-thiophen-2-ylethanamine
CID 3062010

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).