1-(4-bromothiophen-3-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine

C15H25BrN2S — CID 79602355

IUPAC1-(4-bromothiophen-3-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCCCNC(c1cscc1Br)C(C)(C)N1CCCC1
InChIInChI=1S/C15H25BrN2S/c1-4-7-17-14(12-10-19-11-13(12)16)15(2,3)18-8-5-6-9-18/h10-11,14,17H,4-9H2,1-3H3
InChIKeyYNKPETIXQIAQGI-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.43
Rot. Bonds6

About 1-(4-bromothiophen-3-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine

1-(4-bromothiophen-3-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 79602355) has the molecular formula C15H25BrN2S and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID79602355
Molecular FormulaC15H25BrN2S
Molecular Weight345.35 g/mol
Exact Mass344.09
IUPAC Name1-(4-bromothiophen-3-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCCCNC(c1cscc1Br)C(C)(C)N1CCCC1
InChIInChI=1S/C15H25BrN2S/c1-4-7-17-14(12-10-19-11-13(12)16)15(2,3)18-8-5-6-9-18/h10-11,14,17H,4-9H2,1-3H3
InChIKeyYNKPETIXQIAQGI-UHFFFAOYSA-N
XLogP4.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-3-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79602860
1-(4-bromothiophen-3-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
CID 79595083
1-(2,3-dimethylphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79051428
1-(2,5-difluorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79051292
2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 79051839
2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 79052153
1-(4-bromothiophen-3-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79595416
2-methyl-N-propyl-1-pyrimidin-5-yl-2-pyrrolidin-1-ylpropan-1-amine
CID 79045060
1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine
CID 106653570
1-(4-methoxyphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79051291
N-[1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105166827
1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine
CID 79052191

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine (CID 79602355) is 1-(4-bromothiophen-3-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine is CCCNC(c1cscc1Br)C(C)(C)N1CCCC1.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is YNKPETIXQIAQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2S/c1-4-7-17-14(12-10-19-11-13(12)16)15(2,3)18-8-5-6-9-18/h10-11,14,17H,4-9H2,1-3H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine?
1-(4-bromothiophen-3-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 345.35 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 79602355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).