1-(5-bromothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine

C13H21BrN2S — CID 115246231

IUPAC1-(5-bromothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
SMILESCNCC1(CN(C)Cc2ccc(Br)s2)CCC1
InChIInChI=1S/C13H21BrN2S/c1-15-9-13(6-3-7-13)10-16(2)8-11-4-5-12(14)17-11/h4-5,15H,3,6-10H2,1-2H3
InChIKeyPNTCZUFKPNKJNU-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.33
Rot. Bonds6

About 1-(5-bromothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine

1-(5-bromothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine (PubChem CID 115246231) has the molecular formula C13H21BrN2S and a molecular weight of 317.30 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
PubChem CID115246231
Molecular FormulaC13H21BrN2S
Molecular Weight317.30 g/mol
Exact Mass316.06
IUPAC Name1-(5-bromothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
SMILESCNCC1(CN(C)Cc2ccc(Br)s2)CCC1
InChIInChI=1S/C13H21BrN2S/c1-15-9-13(6-3-7-13)10-16(2)8-11-4-5-12(14)17-11/h4-5,15H,3,6-10H2,1-2H3
InChIKeyPNTCZUFKPNKJNU-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]methanamine
CID 62256779
1-(5-bromothiophen-3-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]methanamine
CID 62258974
4-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]oxan-4-ol
CID 115746934
N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine
CID 63494041
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-1-phenylmethanamine
CID 55052101
2-(4-bromophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]ethanamine
CID 115246309
N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]ethanamine
CID 63507818
N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63494590
N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1-pyridin-2-ylmethanamine
CID 115246245
1-(furan-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]methanamine
CID 62258015
1-(4-bromothiophen-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
CID 62260251
N-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 115255075

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine (CID 115246231) is 1-(5-bromothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine is CNCC1(CN(C)Cc2ccc(Br)s2)CCC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine?
The InChIKey is PNTCZUFKPNKJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2S/c1-15-9-13(6-3-7-13)10-16(2)8-11-4-5-12(14)17-11/h4-5,15H,3,6-10H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine?
1-(5-bromothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine has a molecular weight of 317.30 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine is sourced from PubChem (CID 115246231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).