1-[(4-bromothiophen-3-yl)methyl]pyrrolidin-3-amine

C9H13BrN2S — CID 130524735

IUPAC1-[(4-bromothiophen-3-yl)methyl]pyrrolidin-3-amine
SMILESNC1CCN(Cc2cscc2Br)C1
InChIInChI=1S/C9H13BrN2S/c10-9-6-13-5-7(9)3-12-2-1-8(11)4-12/h5-6,8H,1-4,11H2
InChIKeyALUTYYHVLHGJHT-UHFFFAOYSA-N
MW261.19 g/mol
LogP2.04
Rot. Bonds2

About 1-[(4-bromothiophen-3-yl)methyl]pyrrolidin-3-amine

1-[(4-bromothiophen-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 130524735) has the molecular formula C9H13BrN2S and a molecular weight of 261.19 g/mol. Its IUPAC name is 1-[(4-bromothiophen-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(4-bromothiophen-3-yl)methyl]pyrrolidin-3-amine
PubChem CID130524735
Molecular FormulaC9H13BrN2S
Molecular Weight261.19 g/mol
Exact Mass260.00
IUPAC Name1-[(4-bromothiophen-3-yl)methyl]pyrrolidin-3-amine
SMILESNC1CCN(Cc2cscc2Br)C1
InChIInChI=1S/C9H13BrN2S/c10-9-6-13-5-7(9)3-12-2-1-8(11)4-12/h5-6,8H,1-4,11H2
InChIKeyALUTYYHVLHGJHT-UHFFFAOYSA-N
XLogP2.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53256252
1-[(4-bromothiophen-3-yl)methyl]-3-methylazetidine
CID 131155618
(3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine
CID 119905432
(3S)-1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115302526
1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917618
1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120837575
(3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine
CID 53256327
1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 75994008
(3S)-1-[(4-bromo-5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120836308
(3R)-1-[(2,5-dimethylthiophen-3-yl)methyl]pyrrolidin-3-amine
CID 94339879
4-[(3-aminopyrrolidin-1-yl)methyl]benzene-1,3-diol
CID 62069032
(3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine
CID 24904438

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(4-bromothiophen-3-yl)methyl]pyrrolidin-3-amine (CID 130524735) is 1-[(4-bromothiophen-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(4-bromothiophen-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(4-bromothiophen-3-yl)methyl]pyrrolidin-3-amine is NC1CCN(Cc2cscc2Br)C1.
What is the InChIKey of 1-[(4-bromothiophen-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is ALUTYYHVLHGJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2S/c10-9-6-13-5-7(9)3-12-2-1-8(11)4-12/h5-6,8H,1-4,11H2.
What are the key properties of 1-[(4-bromothiophen-3-yl)methyl]pyrrolidin-3-amine?
1-[(4-bromothiophen-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 261.19 g/mol, XLogP of 2.04, 2 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)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 130524735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).