N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylethanamine;hydrochloride

C17H25ClN2S — CID 171668935

IUPACN,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylethanamine;hydrochloride
SMILESCCc1cc2ccccc2nc1SCCN(CC)CC.Cl
InChIInChI=1S/C17H24N2S.ClH/c1-4-14-13-15-9-7-8-10-16(15)18-17(14)20-12-11-19(5-2)6-3;/h7-10,13H,4-6,11-12H2,1-3H3;1H
InChIKeyHZRAAUUXPTVQNG-UHFFFAOYSA-N
MW324.92 g/mol
LogP4.65
Rot. Bonds7

About N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylethanamine;hydrochloride

N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylethanamine;hydrochloride (PubChem CID 171668935) has the molecular formula C17H25ClN2S and a molecular weight of 324.92 g/mol. Its IUPAC name is N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylethanamine;hydrochloride
PubChem CID171668935
Molecular FormulaC17H25ClN2S
Molecular Weight324.92 g/mol
Exact Mass324.14
IUPAC NameN,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylethanamine;hydrochloride
SMILESCCc1cc2ccccc2nc1SCCN(CC)CC.Cl
InChIInChI=1S/C17H24N2S.ClH/c1-4-14-13-15-9-7-8-10-16(15)18-17(14)20-12-11-19(5-2)6-3;/h7-10,13H,4-6,11-12H2,1-3H3;1H
InChIKeyHZRAAUUXPTVQNG-UHFFFAOYSA-N
XLogP4.65
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.92
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide
CID 857646
2-(3-ethylquinolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 857618
2-(3,7-dimethylquinolin-2-yl)sulfanyl-N,N-diethylethanamine;hydrochloride
CID 171700204
2-(3-benzylquinolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 1440326
N,N-diethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylethanamine
CID 80930019
[2-(2-methoxyethylsulfanyl)quinolin-3-yl]methanol
CID 55240821
N-methyl-1-[2-(2-methylsulfonylethylsulfanyl)quinolin-3-yl]methanamine
CID 63804478
N-[(2-pentylsulfanylquinolin-3-yl)methyl]propan-1-amine
CID 107761456
N-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-2-methoxyethanamine
CID 61447959
N-[4-[2-(3-ethylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide
CID 3207929
1-[2-(3-methylbutylsulfanyl)quinolin-3-yl]propan-2-amine
CID 107762497
2-(3-ethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 648574

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylethanamine;hydrochloride?
The IUPAC name of N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylethanamine;hydrochloride (CID 171668935) is N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylethanamine;hydrochloride.
What is the SMILES notation for N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylethanamine;hydrochloride?
The canonical SMILES for N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylethanamine;hydrochloride is CCc1cc2ccccc2nc1SCCN(CC)CC.Cl.
What is the InChIKey of N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylethanamine;hydrochloride?
The InChIKey is HZRAAUUXPTVQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S.ClH/c1-4-14-13-15-9-7-8-10-16(15)18-17(14)20-12-11-19(5-2)6-3;/h7-10,13H,4-6,11-12H2,1-3H3;1H.
What are the key properties of N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylethanamine;hydrochloride?
N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylethanamine;hydrochloride has a molecular weight of 324.92 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylethanamine;hydrochloride is sourced from PubChem (CID 171668935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).