5-(3-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine

C13H22BrNS — CID 64720763

IUPAC5-(3-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)Cc1sccc1Br
InChIInChI=1S/C13H22BrNS/c1-4-6-15-11(3)8-10(2)9-13-12(14)5-7-16-13/h5,7,10-11,15H,4,6,8-9H2,1-3H3
InChIKeyOLAAFLLACSMSBL-UHFFFAOYSA-N
MW304.30 g/mol
LogP4.47
Rot. Bonds7

About 5-(3-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine

5-(3-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine (PubChem CID 64720763) has the molecular formula C13H22BrNS and a molecular weight of 304.30 g/mol. Its IUPAC name is 5-(3-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-(3-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine
PubChem CID64720763
Molecular FormulaC13H22BrNS
Molecular Weight304.30 g/mol
Exact Mass303.07
IUPAC Name5-(3-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)Cc1sccc1Br
InChIInChI=1S/C13H22BrNS/c1-4-6-15-11(3)8-10(2)9-13-12(14)5-7-16-13/h5,7,10-11,15H,4,6,8-9H2,1-3H3
InChIKeyOLAAFLLACSMSBL-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(3-bromothiophen-2-yl)-4-methyl-N-propylpentan-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

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 5-(3-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine (CID 64720763) is 5-(3-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 5-(3-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 5-(3-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine is CCCNC(C)CC(C)Cc1sccc1Br.
What is the InChIKey of 5-(3-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine?
The InChIKey is OLAAFLLACSMSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNS/c1-4-6-15-11(3)8-10(2)9-13-12(14)5-7-16-13/h5,7,10-11,15H,4,6,8-9H2,1-3H3.
What are the key properties of 5-(3-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine?
5-(3-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine has a molecular weight of 304.30 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 64720763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).