1-(3-bromothiophen-2-yl)-N-[(2-propylpyrrolidin-2-yl)methyl]methanamine

C13H21BrN2S — CID 106976495

IUPAC1-(3-bromothiophen-2-yl)-N-[(2-propylpyrrolidin-2-yl)methyl]methanamine
SMILESCCCC1(CNCc2sccc2Br)CCCN1
InChIInChI=1S/C13H21BrN2S/c1-2-5-13(6-3-7-16-13)10-15-9-12-11(14)4-8-17-12/h4,8,15-16H,2-3,5-7,9-10H2,1H3
InChIKeyPBZXBYUDWAHKKJ-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.52
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-N-[(2-propylpyrrolidin-2-yl)methyl]methanamine

1-(3-bromothiophen-2-yl)-N-[(2-propylpyrrolidin-2-yl)methyl]methanamine (PubChem CID 106976495) has the molecular formula C13H21BrN2S and a molecular weight of 317.30 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-[(2-propylpyrrolidin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-[(2-propylpyrrolidin-2-yl)methyl]methanamine
PubChem CID106976495
Molecular FormulaC13H21BrN2S
Molecular Weight317.30 g/mol
Exact Mass316.06
IUPAC Name1-(3-bromothiophen-2-yl)-N-[(2-propylpyrrolidin-2-yl)methyl]methanamine
SMILESCCCC1(CNCc2sccc2Br)CCCN1
InChIInChI=1S/C13H21BrN2S/c1-2-5-13(6-3-7-16-13)10-15-9-12-11(14)4-8-17-12/h4,8,15-16H,2-3,5-7,9-10H2,1H3
InChIKeyPBZXBYUDWAHKKJ-UHFFFAOYSA-N
XLogP3.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-N-[(2-ethylpyrrolidin-2-yl)methyl]methanamine
CID 83072733
2-[1-(aminomethyl)cyclobutyl]-N-[(3-bromothiophen-2-yl)methyl]ethanamine
CID 81171043
2,2-dipropylpyrrolidine
CID 13332418
2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine
CID 66467169
2-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine
CID 106976388
2-[(3-bromothiophen-2-yl)methyl]-2-tert-butylpyrrolidine
CID 66466751
N-[(2-propylpyrrolidin-2-yl)methyl]cyclopropanamine
CID 106976265
4-[1-[[(3-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]aniline
CID 112558192
2-(3-bromothiophen-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580567
N-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-amine
CID 107423728
N-[(3-bromothiophen-2-yl)methyl]-1-(3,3-difluorocyclohexyl)methanamine
CID 114223869
4-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]oxan-4-amine
CID 106976533

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-[(2-propylpyrrolidin-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-[(2-propylpyrrolidin-2-yl)methyl]methanamine (CID 106976495) is 1-(3-bromothiophen-2-yl)-N-[(2-propylpyrrolidin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-[(2-propylpyrrolidin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-[(2-propylpyrrolidin-2-yl)methyl]methanamine is CCCC1(CNCc2sccc2Br)CCCN1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-[(2-propylpyrrolidin-2-yl)methyl]methanamine?
The InChIKey is PBZXBYUDWAHKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2S/c1-2-5-13(6-3-7-16-13)10-15-9-12-11(14)4-8-17-12/h4,8,15-16H,2-3,5-7,9-10H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-[(2-propylpyrrolidin-2-yl)methyl]methanamine?
1-(3-bromothiophen-2-yl)-N-[(2-propylpyrrolidin-2-yl)methyl]methanamine has a molecular weight of 317.30 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-[(2-propylpyrrolidin-2-yl)methyl]methanamine is sourced from PubChem (CID 106976495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).