N-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine

C10H15BrN2S — CID 115213922

IUPACN-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine
SMILESCN(CC1CC(N)C1)c1ccc(Br)s1
InChIInChI=1S/C10H15BrN2S/c1-13(6-7-4-8(12)5-7)10-3-2-9(11)14-10/h2-3,7-8H,4-6,12H2,1H3
InChIKeyYRACHPWGHUCPFW-UHFFFAOYSA-N
MW275.21 g/mol
LogP2.68
Rot. Bonds3

About N-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine

N-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine (PubChem CID 115213922) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine
PubChem CID115213922
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC NameN-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine
SMILESCN(CC1CC(N)C1)c1ccc(Br)s1
InChIInChI=1S/C10H15BrN2S/c1-13(6-7-4-8(12)5-7)10-3-2-9(11)14-10/h2-3,7-8H,4-6,12H2,1H3
InChIKeyYRACHPWGHUCPFW-UHFFFAOYSA-N
XLogP2.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(5-bromothiophen-2-yl)-methylamino]methanol
CID 115228803
4-N-(5-bromothiophen-2-yl)-4-N-methylcyclohexane-1,4-diamine
CID 115149750
N'-(5-bromothiophen-2-yl)-N'-methylbutane-1,4-diamine
CID 115201088
N-[[1-(aminomethyl)cyclobutyl]methyl]-5-bromo-N-methylthiophen-2-amine
CID 115245691
1-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropan-2-ol
CID 115136851
N-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline
CID 115213893
4-amino-1-[(5-bromothiophen-2-yl)-methylamino]butan-2-ol
CID 117039087
N-[(3-aminocyclobutyl)methyl]-N-methyl-4-phenylaniline
CID 115213933
N-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline
CID 115213894
N-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline
CID 115213957
5-chloro-N-methyl-N-(pyrrolidin-3-ylmethyl)thiophen-2-amine
CID 115208661
N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylaniline
CID 115213895

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine (CID 115213922) is N-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine is CN(CC1CC(N)C1)c1ccc(Br)s1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine?
The InChIKey is YRACHPWGHUCPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c1-13(6-7-4-8(12)5-7)10-3-2-9(11)14-10/h2-3,7-8H,4-6,12H2,1H3.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine?
N-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine has a molecular weight of 275.21 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine is sourced from PubChem (CID 115213922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).