N-[(2-cyclohexylsulfanylquinolin-3-yl)methyl]ethanamine

C18H24N2S — CID 63809642

IUPACN-[(2-cyclohexylsulfanylquinolin-3-yl)methyl]ethanamine
SMILESCCNCc1cc2ccccc2nc1SC1CCCCC1
InChIInChI=1S/C18H24N2S/c1-2-19-13-15-12-14-8-6-7-11-17(14)20-18(15)21-16-9-4-3-5-10-16/h6-8,11-12,16,19H,2-5,9-10,13H2,1H3
InChIKeyVEEYRAUYJKOVBP-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.77
Rot. Bonds5

About N-[(2-cyclohexylsulfanylquinolin-3-yl)methyl]ethanamine

N-[(2-cyclohexylsulfanylquinolin-3-yl)methyl]ethanamine (PubChem CID 63809642) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[(2-cyclohexylsulfanylquinolin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-cyclohexylsulfanylquinolin-3-yl)methyl]ethanamine
PubChem CID63809642
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC NameN-[(2-cyclohexylsulfanylquinolin-3-yl)methyl]ethanamine
SMILESCCNCc1cc2ccccc2nc1SC1CCCCC1
InChIInChI=1S/C18H24N2S/c1-2-19-13-15-12-14-8-6-7-11-17(14)20-18(15)21-16-9-4-3-5-10-16/h6-8,11-12,16,19H,2-5,9-10,13H2,1H3
InChIKeyVEEYRAUYJKOVBP-UHFFFAOYSA-N
XLogP4.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexylsulfanylquinolin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-cyclohexylsulfanylquinolin-3-yl)methyl]ethanamine (CID 63809642) is N-[(2-cyclohexylsulfanylquinolin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-cyclohexylsulfanylquinolin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-cyclohexylsulfanylquinolin-3-yl)methyl]ethanamine is CCNCc1cc2ccccc2nc1SC1CCCCC1.
What is the InChIKey of N-[(2-cyclohexylsulfanylquinolin-3-yl)methyl]ethanamine?
The InChIKey is VEEYRAUYJKOVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-2-19-13-15-12-14-8-6-7-11-17(14)20-18(15)21-16-9-4-3-5-10-16/h6-8,11-12,16,19H,2-5,9-10,13H2,1H3.
What are the key properties of N-[(2-cyclohexylsulfanylquinolin-3-yl)methyl]ethanamine?
N-[(2-cyclohexylsulfanylquinolin-3-yl)methyl]ethanamine has a molecular weight of 300.47 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexylsulfanylquinolin-3-yl)methyl]ethanamine is sourced from PubChem (CID 63809642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).