2-(2-cyclopentylsulfanylquinolin-3-yl)ethanamine

C16H20N2S — CID 63819214

IUPAC2-(2-cyclopentylsulfanylquinolin-3-yl)ethanamine
SMILESNCCc1cc2ccccc2nc1SC1CCCC1
InChIInChI=1S/C16H20N2S/c17-10-9-13-11-12-5-1-4-8-15(12)18-16(13)19-14-6-2-3-7-14/h1,4-5,8,11,14H,2-3,6-7,9-10,17H2
InChIKeyLJWCJWLICZRZJP-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.77
Rot. Bonds4

About 2-(2-cyclopentylsulfanylquinolin-3-yl)ethanamine

2-(2-cyclopentylsulfanylquinolin-3-yl)ethanamine (PubChem CID 63819214) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-(2-cyclopentylsulfanylquinolin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclopentylsulfanylquinolin-3-yl)ethanamine
PubChem CID63819214
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name2-(2-cyclopentylsulfanylquinolin-3-yl)ethanamine
SMILESNCCc1cc2ccccc2nc1SC1CCCC1
InChIInChI=1S/C16H20N2S/c17-10-9-13-11-12-5-1-4-8-15(12)18-16(13)19-14-6-2-3-7-14/h1,4-5,8,11,14H,2-3,6-7,9-10,17H2
InChIKeyLJWCJWLICZRZJP-UHFFFAOYSA-N
XLogP3.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyclohexylsulfanylquinolin-3-yl)methyl]ethanamine
CID 63809642
2-(2-pyridin-2-ylsulfanylquinolin-3-yl)ethanamine
CID 63818092
3-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylquinolin-2-amine
CID 63783602
[3-(cyclohexylsulfanylmethyl)quinolin-2-yl]hydrazine
CID 62250641
[2-(cyclopentylmethylsulfanyl)quinolin-3-yl]methanol
CID 63835635
2-methyl-N-[[2-(oxetan-3-ylsulfanyl)quinolin-3-yl]methyl]propan-2-amine
CID 79322858
2-[3-(2-aminoethyl)naphthalen-2-yl]ethanamine
CID 170886565
3-(cyclohexylsulfanylmethyl)-N-methylquinolin-2-amine
CID 63486932
4-cyclohexylsulfanylquinazolin-2-amine
CID 80886122
1-[3-(2-aminoethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63786167
3-(2-aminoethyl)-N-methyl-N-(thiolan-3-yl)quinolin-2-amine
CID 63784426
3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine
CID 43614276

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylsulfanylquinolin-3-yl)ethanamine?
The IUPAC name of 2-(2-cyclopentylsulfanylquinolin-3-yl)ethanamine (CID 63819214) is 2-(2-cyclopentylsulfanylquinolin-3-yl)ethanamine.
What is the SMILES notation for 2-(2-cyclopentylsulfanylquinolin-3-yl)ethanamine?
The canonical SMILES for 2-(2-cyclopentylsulfanylquinolin-3-yl)ethanamine is NCCc1cc2ccccc2nc1SC1CCCC1.
What is the InChIKey of 2-(2-cyclopentylsulfanylquinolin-3-yl)ethanamine?
The InChIKey is LJWCJWLICZRZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c17-10-9-13-11-12-5-1-4-8-15(12)18-16(13)19-14-6-2-3-7-14/h1,4-5,8,11,14H,2-3,6-7,9-10,17H2.
What are the key properties of 2-(2-cyclopentylsulfanylquinolin-3-yl)ethanamine?
2-(2-cyclopentylsulfanylquinolin-3-yl)ethanamine has a molecular weight of 272.42 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylsulfanylquinolin-3-yl)ethanamine is sourced from PubChem (CID 63819214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).