1-[2-(3-bromothiophen-2-yl)cyclobutyl]-N-methylmethanamine

C10H14BrNS — CID 81017794

IUPAC1-[2-(3-bromothiophen-2-yl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1c1sccc1Br
InChIInChI=1S/C10H14BrNS/c1-12-6-7-2-3-8(7)10-9(11)4-5-13-10/h4-5,7-8,12H,2-3,6H2,1H3
InChIKeyCYOCIUIBFLXCIL-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.22
Rot. Bonds3

About 1-[2-(3-bromothiophen-2-yl)cyclobutyl]-N-methylmethanamine

1-[2-(3-bromothiophen-2-yl)cyclobutyl]-N-methylmethanamine (PubChem CID 81017794) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 1-[2-(3-bromothiophen-2-yl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-bromothiophen-2-yl)cyclobutyl]-N-methylmethanamine
PubChem CID81017794
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name1-[2-(3-bromothiophen-2-yl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1c1sccc1Br
InChIInChI=1S/C10H14BrNS/c1-12-6-7-2-3-8(7)10-9(11)4-5-13-10/h4-5,7-8,12H,2-3,6H2,1H3
InChIKeyCYOCIUIBFLXCIL-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromothiophen-2-yl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-bromothiophen-2-yl)cyclobutyl]-N-methylmethanamine (CID 81017794) is 1-[2-(3-bromothiophen-2-yl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-bromothiophen-2-yl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-bromothiophen-2-yl)cyclobutyl]-N-methylmethanamine is CNCC1CCC1c1sccc1Br.
What is the InChIKey of 1-[2-(3-bromothiophen-2-yl)cyclobutyl]-N-methylmethanamine?
The InChIKey is CYOCIUIBFLXCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-12-6-7-2-3-8(7)10-9(11)4-5-13-10/h4-5,7-8,12H,2-3,6H2,1H3.
What are the key properties of 1-[2-(3-bromothiophen-2-yl)cyclobutyl]-N-methylmethanamine?
1-[2-(3-bromothiophen-2-yl)cyclobutyl]-N-methylmethanamine has a molecular weight of 260.20 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromothiophen-2-yl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 81017794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).