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

C15H19NS — CID 12844258

IUPACN-(1-benzothiophen-2-ylmethyl)cyclohexanamine
SMILESc1ccc2sc(CNC3CCCCC3)cc2c1
InChIInChI=1S/C15H19NS/c1-2-7-13(8-3-1)16-11-14-10-12-6-4-5-9-15(12)17-14/h4-6,9-10,13,16H,1-3,7-8,11H2
InChIKeyNKHZKPMJADMXLQ-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.32
Rot. Bonds3

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

N-(1-benzothiophen-2-ylmethyl)cyclohexanamine (PubChem CID 12844258) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is N-(1-benzothiophen-2-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(1-benzothiophen-2-ylmethyl)cyclohexanamine
PubChem CID12844258
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC NameN-(1-benzothiophen-2-ylmethyl)cyclohexanamine
SMILESc1ccc2sc(CNC3CCCCC3)cc2c1
InChIInChI=1S/C15H19NS/c1-2-7-13(8-3-1)16-11-14-10-12-6-4-5-9-15(12)17-14/h4-6,9-10,13,16H,1-3,7-8,11H2
InChIKeyNKHZKPMJADMXLQ-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.32
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)cyclohexanamine?
The IUPAC name of N-(1-benzothiophen-2-ylmethyl)cyclohexanamine (CID 12844258) is N-(1-benzothiophen-2-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-(1-benzothiophen-2-ylmethyl)cyclohexanamine?
The canonical SMILES for N-(1-benzothiophen-2-ylmethyl)cyclohexanamine is c1ccc2sc(CNC3CCCCC3)cc2c1.
What is the InChIKey of N-(1-benzothiophen-2-ylmethyl)cyclohexanamine?
The InChIKey is NKHZKPMJADMXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-2-7-13(8-3-1)16-11-14-10-12-6-4-5-9-15(12)17-14/h4-6,9-10,13,16H,1-3,7-8,11H2.
What are the key properties of N-(1-benzothiophen-2-ylmethyl)cyclohexanamine?
N-(1-benzothiophen-2-ylmethyl)cyclohexanamine has a molecular weight of 245.39 g/mol, XLogP of 4.32, 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)cyclohexanamine is sourced from PubChem (CID 12844258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).