4-bromo-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophen-2-amine

C11H17BrN2S — CID 115246053

IUPAC4-bromo-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophen-2-amine
SMILESCNCC1(CNc2cc(Br)cs2)CCC1
InChIInChI=1S/C11H17BrN2S/c1-13-7-11(3-2-4-11)8-14-10-5-9(12)6-15-10/h5-6,13-14H,2-4,7-8H2,1H3
InChIKeyVFRSNENVWGJQAS-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.31
Rot. Bonds5

About 4-bromo-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophen-2-amine

4-bromo-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophen-2-amine (PubChem CID 115246053) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 4-bromo-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophen-2-amine.

Molecular Properties

Compound Name4-bromo-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophen-2-amine
PubChem CID115246053
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name4-bromo-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophen-2-amine
SMILESCNCC1(CNc2cc(Br)cs2)CCC1
InChIInChI=1S/C11H17BrN2S/c1-13-7-11(3-2-4-11)8-14-10-5-9(12)6-15-10/h5-6,13-14H,2-4,7-8H2,1H3
InChIKeyVFRSNENVWGJQAS-UHFFFAOYSA-N
XLogP3.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
CID 115272124
5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246072
5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246032
4-bromo-N-(bromomethyl)thiophen-2-amine
CID 115261580
1-(5-bromothiophen-3-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]methanamine
CID 62258974
5-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]furan-2-amine
CID 115246076
2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246081
1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62724385
1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclobutyl]-N-methylmethanamine
CID 116969458
2-(3-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
CID 115267561
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183743
1-(4-bromothiophen-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
CID 62260251

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophen-2-amine?
The IUPAC name of 4-bromo-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophen-2-amine (CID 115246053) is 4-bromo-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophen-2-amine.
What is the SMILES notation for 4-bromo-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophen-2-amine?
The canonical SMILES for 4-bromo-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophen-2-amine is CNCC1(CNc2cc(Br)cs2)CCC1.
What is the InChIKey of 4-bromo-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophen-2-amine?
The InChIKey is VFRSNENVWGJQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-13-7-11(3-2-4-11)8-14-10-5-9(12)6-15-10/h5-6,13-14H,2-4,7-8H2,1H3.
What are the key properties of 4-bromo-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophen-2-amine?
4-bromo-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophen-2-amine has a molecular weight of 289.24 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophen-2-amine is sourced from PubChem (CID 115246053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).