N-[[1-(aminomethyl)cyclobutyl]methyl]-5-bromo-N-methylthiophen-2-amine

C11H17BrN2S — CID 115245691

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-5-bromo-N-methylthiophen-2-amine
SMILESCN(CC1(CN)CCC1)c1ccc(Br)s1
InChIInChI=1S/C11H17BrN2S/c1-14(10-4-3-9(12)15-10)8-11(7-13)5-2-6-11/h3-4H,2,5-8,13H2,1H3
InChIKeyLWTDTJZANSEYER-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.08
Rot. Bonds4

About N-[[1-(aminomethyl)cyclobutyl]methyl]-5-bromo-N-methylthiophen-2-amine

N-[[1-(aminomethyl)cyclobutyl]methyl]-5-bromo-N-methylthiophen-2-amine (PubChem CID 115245691) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-5-bromo-N-methylthiophen-2-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-5-bromo-N-methylthiophen-2-amine
PubChem CID115245691
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-5-bromo-N-methylthiophen-2-amine
SMILESCN(CC1(CN)CCC1)c1ccc(Br)s1
InChIInChI=1S/C11H17BrN2S/c1-14(10-4-3-9(12)15-10)8-11(7-13)5-2-6-11/h3-4H,2,5-8,13H2,1H3
InChIKeyLWTDTJZANSEYER-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylaniline
CID 115448798
[1-[(5-bromothiophen-2-yl)methyl]cyclobutyl]methanamine
CID 65194183
N'-(5-bromothiophen-2-yl)-N'-methylbutane-1,4-diamine
CID 115201088
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1H-pyrrol-3-amine
CID 115245714
[(5-bromothiophen-2-yl)-methylamino]methanol
CID 115228803
N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline
CID 62259755
1-(aminomethyl)-4-[(5-bromothiophen-2-yl)-methylamino]cyclohexan-1-ol
CID 117039360
N-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine
CID 115213922
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylnaphthalen-2-amine
CID 115245752
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115245672
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,6-dimethylnaphthalen-2-amine
CID 115245749
4-amino-1-[(5-bromothiophen-2-yl)-methylamino]butan-2-ol
CID 117039087

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-5-bromo-N-methylthiophen-2-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-5-bromo-N-methylthiophen-2-amine (CID 115245691) is N-[[1-(aminomethyl)cyclobutyl]methyl]-5-bromo-N-methylthiophen-2-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-5-bromo-N-methylthiophen-2-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-5-bromo-N-methylthiophen-2-amine is CN(CC1(CN)CCC1)c1ccc(Br)s1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-5-bromo-N-methylthiophen-2-amine?
The InChIKey is LWTDTJZANSEYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-14(10-4-3-9(12)15-10)8-11(7-13)5-2-6-11/h3-4H,2,5-8,13H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-5-bromo-N-methylthiophen-2-amine?
N-[[1-(aminomethyl)cyclobutyl]methyl]-5-bromo-N-methylthiophen-2-amine has a molecular weight of 289.24 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-5-bromo-N-methylthiophen-2-amine is sourced from PubChem (CID 115245691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).