3-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylcyclobutan-1-amine

C12H18BrNS — CID 81418130

IUPAC3-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylcyclobutan-1-amine
SMILESCCNC1CC(c2ccc(Br)s2)C1(C)C
InChIInChI=1S/C12H18BrNS/c1-4-14-10-7-8(12(10,2)3)9-5-6-11(13)15-9/h5-6,8,10,14H,4,7H2,1-3H3
InChIKeyMTSRYRNWEAPDCG-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.00
Rot. Bonds3

About 3-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylcyclobutan-1-amine

3-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylcyclobutan-1-amine (PubChem CID 81418130) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylcyclobutan-1-amine
PubChem CID81418130
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name3-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylcyclobutan-1-amine
SMILESCCNC1CC(c2ccc(Br)s2)C1(C)C
InChIInChI=1S/C12H18BrNS/c1-4-14-10-7-8(12(10,2)3)9-5-6-11(13)15-9/h5-6,8,10,14H,4,7H2,1-3H3
InChIKeyMTSRYRNWEAPDCG-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylcyclobutan-1-amine (CID 81418130) is 3-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylcyclobutan-1-amine is CCNC1CC(c2ccc(Br)s2)C1(C)C.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The InChIKey is MTSRYRNWEAPDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-4-14-10-7-8(12(10,2)3)9-5-6-11(13)15-9/h5-6,8,10,14H,4,7H2,1-3H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
3-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylcyclobutan-1-amine has a molecular weight of 288.25 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 81418130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).