N-(1-benzothiophen-2-ylmethyl)cyclooctanamine

C17H23NS — CID 171354734

IUPACN-(1-benzothiophen-2-ylmethyl)cyclooctanamine
SMILESc1ccc2sc(CNC3CCCCCCC3)cc2c1
InChIInChI=1S/C17H23NS/c1-2-4-9-15(10-5-3-1)18-13-16-12-14-8-6-7-11-17(14)19-16/h6-8,11-12,15,18H,1-5,9-10,13H2
InChIKeyIDVJEPLUYDJMOW-UHFFFAOYSA-N
MW273.44 g/mol
LogP5.10
Rot. Bonds3

About N-(1-benzothiophen-2-ylmethyl)cyclooctanamine

N-(1-benzothiophen-2-ylmethyl)cyclooctanamine (PubChem CID 171354734) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is N-(1-benzothiophen-2-ylmethyl)cyclooctanamine.

Molecular Properties

Compound NameN-(1-benzothiophen-2-ylmethyl)cyclooctanamine
PubChem CID171354734
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC NameN-(1-benzothiophen-2-ylmethyl)cyclooctanamine
SMILESc1ccc2sc(CNC3CCCCCCC3)cc2c1
InChIInChI=1S/C17H23NS/c1-2-4-9-15(10-5-3-1)18-13-16-12-14-8-6-7-11-17(14)19-16/h6-8,11-12,15,18H,1-5,9-10,13H2
InChIKeyIDVJEPLUYDJMOW-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.44
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-ylmethyl)cyclooctanamine?
The IUPAC name of N-(1-benzothiophen-2-ylmethyl)cyclooctanamine (CID 171354734) is N-(1-benzothiophen-2-ylmethyl)cyclooctanamine.
What is the SMILES notation for N-(1-benzothiophen-2-ylmethyl)cyclooctanamine?
The canonical SMILES for N-(1-benzothiophen-2-ylmethyl)cyclooctanamine is c1ccc2sc(CNC3CCCCCCC3)cc2c1.
What is the InChIKey of N-(1-benzothiophen-2-ylmethyl)cyclooctanamine?
The InChIKey is IDVJEPLUYDJMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-2-4-9-15(10-5-3-1)18-13-16-12-14-8-6-7-11-17(14)19-16/h6-8,11-12,15,18H,1-5,9-10,13H2.
What are the key properties of N-(1-benzothiophen-2-ylmethyl)cyclooctanamine?
N-(1-benzothiophen-2-ylmethyl)cyclooctanamine has a molecular weight of 273.44 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-ylmethyl)cyclooctanamine is sourced from PubChem (CID 171354734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).