N-ethyl-2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine

C16H22N2S — CID 81231123

IUPACN-ethyl-2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine
SMILESCCNC(CSC(C)C)c1ccc2cccnc2c1
InChIInChI=1S/C16H22N2S/c1-4-17-16(11-19-12(2)3)14-8-7-13-6-5-9-18-15(13)10-14/h5-10,12,16-17H,4,11H2,1-3H3
InChIKeyVRYXJTUWBYYJRX-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.03
Rot. Bonds6

About N-ethyl-2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine

N-ethyl-2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine (PubChem CID 81231123) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-ethyl-2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine
PubChem CID81231123
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-ethyl-2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine
SMILESCCNC(CSC(C)C)c1ccc2cccnc2c1
InChIInChI=1S/C16H22N2S/c1-4-17-16(11-19-12(2)3)14-8-7-13-6-5-9-18-15(13)10-14/h5-10,12,16-17H,4,11H2,1-3H3
InChIKeyVRYXJTUWBYYJRX-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-quinolin-7-ylethanamine
CID 81221005
2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine
CID 81231763
N-ethyl-3-quinolin-7-ylbutan-2-amine
CID 81224003
3-ethoxy-N-ethyl-1-quinolin-7-ylpropan-1-amine
CID 105172706
N-(2-ethylsulfanyl-1-quinolin-7-ylethyl)propan-1-amine
CID 81231399
2-ethoxy-N-ethyl-1-quinolin-7-ylpropan-1-amine
CID 81231185
N-ethyl-2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine
CID 105021408
N-ethyl-3-(furan-2-yl)-1-quinolin-7-ylpropan-1-amine
CID 105172573
N-methyl-2-phenylsulfanyl-1-quinolin-7-ylethanamine
CID 81228674
N,2-diethyl-1-quinolin-7-ylhexan-1-amine
CID 105021496
N-[pyrazin-2-yl(quinolin-7-yl)methyl]ethanamine
CID 81231514
N-(2-butan-2-ylsulfanyl-1-quinolin-6-ylethyl)propan-1-amine
CID 81228662

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine?
The IUPAC name of N-ethyl-2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine (CID 81231123) is N-ethyl-2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine.
What is the SMILES notation for N-ethyl-2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine?
The canonical SMILES for N-ethyl-2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine is CCNC(CSC(C)C)c1ccc2cccnc2c1.
What is the InChIKey of N-ethyl-2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine?
The InChIKey is VRYXJTUWBYYJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-4-17-16(11-19-12(2)3)14-8-7-13-6-5-9-18-15(13)10-14/h5-10,12,16-17H,4,11H2,1-3H3.
What are the key properties of N-ethyl-2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine?
N-ethyl-2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine has a molecular weight of 274.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine is sourced from PubChem (CID 81231123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).