N-ethyl-2-(2-naphthalen-2-ylsulfanylethyl)cyclopentan-1-amine

C19H25NS — CID 79577184

IUPACN-ethyl-2-(2-naphthalen-2-ylsulfanylethyl)cyclopentan-1-amine
SMILESCCNC1CCCC1CCSc1ccc2ccccc2c1
InChIInChI=1S/C19H25NS/c1-2-20-19-9-5-8-16(19)12-13-21-18-11-10-15-6-3-4-7-17(15)14-18/h3-4,6-7,10-11,14,16,19-20H,2,5,8-9,12-13H2,1H3
InChIKeyRFOXLZUDHMBQDT-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.10
Rot. Bonds6

About N-ethyl-2-(2-naphthalen-2-ylsulfanylethyl)cyclopentan-1-amine

N-ethyl-2-(2-naphthalen-2-ylsulfanylethyl)cyclopentan-1-amine (PubChem CID 79577184) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-ethyl-2-(2-naphthalen-2-ylsulfanylethyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-naphthalen-2-ylsulfanylethyl)cyclopentan-1-amine
PubChem CID79577184
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-ethyl-2-(2-naphthalen-2-ylsulfanylethyl)cyclopentan-1-amine
SMILESCCNC1CCCC1CCSc1ccc2ccccc2c1
InChIInChI=1S/C19H25NS/c1-2-20-19-9-5-8-16(19)12-13-21-18-11-10-15-6-3-4-7-17(15)14-18/h3-4,6-7,10-11,14,16,19-20H,2,5,8-9,12-13H2,1H3
InChIKeyRFOXLZUDHMBQDT-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
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-ethyl-2-(2-naphthalen-2-ylsulfanylethyl)cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-(2-naphthalen-2-ylsulfanylethyl)cyclopentan-1-amine (CID 79577184) is N-ethyl-2-(2-naphthalen-2-ylsulfanylethyl)cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-naphthalen-2-ylsulfanylethyl)cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-(2-naphthalen-2-ylsulfanylethyl)cyclopentan-1-amine is CCNC1CCCC1CCSc1ccc2ccccc2c1.
What is the InChIKey of N-ethyl-2-(2-naphthalen-2-ylsulfanylethyl)cyclopentan-1-amine?
The InChIKey is RFOXLZUDHMBQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-2-20-19-9-5-8-16(19)12-13-21-18-11-10-15-6-3-4-7-17(15)14-18/h3-4,6-7,10-11,14,16,19-20H,2,5,8-9,12-13H2,1H3.
What are the key properties of N-ethyl-2-(2-naphthalen-2-ylsulfanylethyl)cyclopentan-1-amine?
N-ethyl-2-(2-naphthalen-2-ylsulfanylethyl)cyclopentan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-naphthalen-2-ylsulfanylethyl)cyclopentan-1-amine is sourced from PubChem (CID 79577184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).