1-[2-(5-bromothiophen-2-yl)ethyl]-N-propylpyrrolidin-3-amine

C13H21BrN2S — CID 114139701

IUPAC1-[2-(5-bromothiophen-2-yl)ethyl]-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(CCc2ccc(Br)s2)C1
InChIInChI=1S/C13H21BrN2S/c1-2-7-15-11-5-8-16(10-11)9-6-12-3-4-13(14)17-12/h3-4,11,15H,2,5-10H2,1H3
InChIKeySYNZAUUGHAKZAC-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.13
Rot. Bonds6

About 1-[2-(5-bromothiophen-2-yl)ethyl]-N-propylpyrrolidin-3-amine

1-[2-(5-bromothiophen-2-yl)ethyl]-N-propylpyrrolidin-3-amine (PubChem CID 114139701) has the molecular formula C13H21BrN2S and a molecular weight of 317.30 g/mol. Its IUPAC name is 1-[2-(5-bromothiophen-2-yl)ethyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(5-bromothiophen-2-yl)ethyl]-N-propylpyrrolidin-3-amine
PubChem CID114139701
Molecular FormulaC13H21BrN2S
Molecular Weight317.30 g/mol
Exact Mass316.06
IUPAC Name1-[2-(5-bromothiophen-2-yl)ethyl]-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(CCc2ccc(Br)s2)C1
InChIInChI=1S/C13H21BrN2S/c1-2-7-15-11-5-8-16(10-11)9-6-12-3-4-13(14)17-12/h3-4,11,15H,2,5-10H2,1H3
InChIKeySYNZAUUGHAKZAC-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-bromothiophen-2-yl)ethyl]-3-(propylamino)piperidin-2-one
CID 106039918
1-[2-(2-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 43315228
1-(3-methylbutyl)-N-propylpyrrolidin-3-amine
CID 43314968
2-[2-(5-bromothiophen-2-yl)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 106044065
1-[(5-methylfuran-2-yl)methyl]-N-propylpyrrolidin-3-amine
CID 62524561
2-[2-(5-bromothiophen-2-yl)ethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111017408
N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62592209
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 43315157
4-[2-(5-bromothiophen-2-yl)ethylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 103912761
1-(3-phenoxypropyl)-N-propylpyrrolidin-3-amine
CID 55068553
1-(2-ethoxyethyl)-N-propylpyrrolidin-3-amine
CID 43591122
N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106043985

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]-N-propylpyrrolidin-3-amine (CID 114139701) is 1-[2-(5-bromothiophen-2-yl)ethyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(5-bromothiophen-2-yl)ethyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(5-bromothiophen-2-yl)ethyl]-N-propylpyrrolidin-3-amine is CCCNC1CCN(CCc2ccc(Br)s2)C1.
What is the InChIKey of 1-[2-(5-bromothiophen-2-yl)ethyl]-N-propylpyrrolidin-3-amine?
The InChIKey is SYNZAUUGHAKZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2S/c1-2-7-15-11-5-8-16(10-11)9-6-12-3-4-13(14)17-12/h3-4,11,15H,2,5-10H2,1H3.
What are the key properties of 1-[2-(5-bromothiophen-2-yl)ethyl]-N-propylpyrrolidin-3-amine?
1-[2-(5-bromothiophen-2-yl)ethyl]-N-propylpyrrolidin-3-amine has a molecular weight of 317.30 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromothiophen-2-yl)ethyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 114139701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).