3-(5-bromothiophen-2-yl)-2-methyl-N-propylcyclobutan-1-amine

C12H18BrNS — CID 81418012

IUPAC3-(5-bromothiophen-2-yl)-2-methyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2ccc(Br)s2)C1C
InChIInChI=1S/C12H18BrNS/c1-3-6-14-10-7-9(8(10)2)11-4-5-12(13)15-11/h4-5,8-10,14H,3,6-7H2,1-2H3
InChIKeyPGCZDPHMYDIFHN-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.00
Rot. Bonds4

About 3-(5-bromothiophen-2-yl)-2-methyl-N-propylcyclobutan-1-amine

3-(5-bromothiophen-2-yl)-2-methyl-N-propylcyclobutan-1-amine (PubChem CID 81418012) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-2-methyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-2-methyl-N-propylcyclobutan-1-amine
PubChem CID81418012
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name3-(5-bromothiophen-2-yl)-2-methyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2ccc(Br)s2)C1C
InChIInChI=1S/C12H18BrNS/c1-3-6-14-10-7-9(8(10)2)11-4-5-12(13)15-11/h4-5,8-10,14H,3,6-7H2,1-2H3
InChIKeyPGCZDPHMYDIFHN-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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)-2-methyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-2-methyl-N-propylcyclobutan-1-amine (CID 81418012) is 3-(5-bromothiophen-2-yl)-2-methyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-2-methyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-2-methyl-N-propylcyclobutan-1-amine is CCCNC1CC(c2ccc(Br)s2)C1C.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-2-methyl-N-propylcyclobutan-1-amine?
The InChIKey is PGCZDPHMYDIFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-3-6-14-10-7-9(8(10)2)11-4-5-12(13)15-11/h4-5,8-10,14H,3,6-7H2,1-2H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-2-methyl-N-propylcyclobutan-1-amine?
3-(5-bromothiophen-2-yl)-2-methyl-N-propylcyclobutan-1-amine has a molecular weight of 288.25 g/mol, XLogP of 4.00, 4 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)-2-methyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 81418012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).