1-(5-bromothiophen-3-yl)-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]methanamine

C14H23BrN2S — CID 106981793

IUPAC1-(5-bromothiophen-3-yl)-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]methanamine
SMILESCC(C)C1(CN(C)Cc2csc(Br)c2)CCNC1
InChIInChI=1S/C14H23BrN2S/c1-11(2)14(4-5-16-9-14)10-17(3)7-12-6-13(15)18-8-12/h6,8,11,16H,4-5,7,9-10H2,1-3H3
InChIKeyOTZZQRZDVAAXIU-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.58
Rot. Bonds5

About 1-(5-bromothiophen-3-yl)-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]methanamine

1-(5-bromothiophen-3-yl)-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]methanamine (PubChem CID 106981793) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]methanamine
PubChem CID106981793
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC Name1-(5-bromothiophen-3-yl)-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]methanamine
SMILESCC(C)C1(CN(C)Cc2csc(Br)c2)CCNC1
InChIInChI=1S/C14H23BrN2S/c1-11(2)14(4-5-16-9-14)10-17(3)7-12-6-13(15)18-8-12/h6,8,11,16H,4-5,7,9-10H2,1-3H3
InChIKeyOTZZQRZDVAAXIU-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromothiophen-3-yl)-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]methanamine with MolForge

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Related Compounds

N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 65002893
1-(5-bromothiophen-3-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]methanamine
CID 62258974
2-(azetidin-3-yl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpropan-1-amine
CID 116679722
N-[[1-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine
CID 63494298
N,N,N'-trimethyl-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 106981897
[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976688
N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391516
3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol
CID 115919436
4-[(5-bromothiophen-3-yl)methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66452184
3-methoxy-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 106981871
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62461899
2-[1-(aminomethyl)cyclobutyl]-N-[(5-bromothiophen-3-yl)methyl]-N-methylethanamine
CID 81171238

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]methanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]methanamine (CID 106981793) is 1-(5-bromothiophen-3-yl)-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]methanamine is CC(C)C1(CN(C)Cc2csc(Br)c2)CCNC1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]methanamine?
The InChIKey is OTZZQRZDVAAXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-11(2)14(4-5-16-9-14)10-17(3)7-12-6-13(15)18-8-12/h6,8,11,16H,4-5,7,9-10H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]methanamine?
1-(5-bromothiophen-3-yl)-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]methanamine has a molecular weight of 331.32 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]methanamine is sourced from PubChem (CID 106981793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).