5-[2-(bromomethyl)-2-propylpentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C16H26BrNS — CID 65005365

IUPAC5-[2-(bromomethyl)-2-propylpentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCCCC(CBr)(CCC)CN1CCc2sccc2C1
InChIInChI=1S/C16H26BrNS/c1-3-7-16(12-17,8-4-2)13-18-9-5-15-14(11-18)6-10-19-15/h6,10H,3-5,7-9,11-13H2,1-2H3
InChIKeyNLFJYQATEBRNCY-UHFFFAOYSA-N
MW344.36 g/mol
LogP5.09
Rot. Bonds7

About 5-[2-(bromomethyl)-2-propylpentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[2-(bromomethyl)-2-propylpentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 65005365) has the molecular formula C16H26BrNS and a molecular weight of 344.36 g/mol. Its IUPAC name is 5-[2-(bromomethyl)-2-propylpentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[2-(bromomethyl)-2-propylpentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID65005365
Molecular FormulaC16H26BrNS
Molecular Weight344.36 g/mol
Exact Mass343.10
IUPAC Name5-[2-(bromomethyl)-2-propylpentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCCCC(CBr)(CCC)CN1CCc2sccc2C1
InChIInChI=1S/C16H26BrNS/c1-3-7-16(12-17,8-4-2)13-18-9-5-15-14(11-18)6-10-19-15/h6,10H,3-5,7-9,11-13H2,1-2H3
InChIKeyNLFJYQATEBRNCY-UHFFFAOYSA-N
XLogP5.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.36
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-[2-(bromomethyl)-2-propylpentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine 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-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 176622093
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methyl-N-propylpentan-1-amine
CID 62263191
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methylbutan-1-amine
CID 62264305
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid
CID 62272475
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 66455122
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylpropan-1-amine
CID 61386149
5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylpentan-1-amine
CID 62437630
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethyl-N-propylpentan-3-amine
CID 62622978
5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 130634537
5-(2-chloroprop-2-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 130636672
5-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 72945001
5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride
CID 657310

Frequently Asked Questions

What is the IUPAC name of 5-[2-(bromomethyl)-2-propylpentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[2-(bromomethyl)-2-propylpentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 65005365) is 5-[2-(bromomethyl)-2-propylpentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[2-(bromomethyl)-2-propylpentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[2-(bromomethyl)-2-propylpentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is CCCC(CBr)(CCC)CN1CCc2sccc2C1.
What is the InChIKey of 5-[2-(bromomethyl)-2-propylpentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is NLFJYQATEBRNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNS/c1-3-7-16(12-17,8-4-2)13-18-9-5-15-14(11-18)6-10-19-15/h6,10H,3-5,7-9,11-13H2,1-2H3.
What are the key properties of 5-[2-(bromomethyl)-2-propylpentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[2-(bromomethyl)-2-propylpentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 344.36 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(bromomethyl)-2-propylpentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 65005365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).