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

C14H18N2S — CID 81231763

IUPAC2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine
SMILESCC(C)SCC(N)c1ccc2cccnc2c1
InChIInChI=1S/C14H18N2S/c1-10(2)17-9-13(15)12-6-5-11-4-3-7-16-14(11)8-12/h3-8,10,13H,9,15H2,1-2H3
InChIKeyMSDIJJNLYUSNEZ-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.38
Rot. Bonds4

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

2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine (PubChem CID 81231763) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine.

Molecular Properties

Compound Name2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine
PubChem CID81231763
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine
SMILESCC(C)SCC(N)c1ccc2cccnc2c1
InChIInChI=1S/C14H18N2S/c1-10(2)17-9-13(15)12-6-5-11-4-3-7-16-14(11)8-12/h3-8,10,13H,9,15H2,1-2H3
InChIKeyMSDIJJNLYUSNEZ-UHFFFAOYSA-N
XLogP3.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine
CID 81231123
2-tert-butylsulfanyl-1-quinolin-6-ylethanamine
CID 81232046
(4-propan-2-ylphenyl)-quinolin-7-ylmethanamine
CID 81210653
2,2-dimethyl-1-quinolin-7-ylpropan-1-amine
CID 81220535
2-methyl-1-quinolin-7-ylhexan-1-amine
CID 114246526
2-propylsulfanyl-1-quinolin-6-ylethanamine
CID 81231903
3-(4-methylphenyl)-1-quinolin-7-ylpropan-1-amine
CID 105172695
2-methoxy-1-quinolin-7-ylpropan-1-amine
CID 81232148
1-(2-methylquinolin-6-yl)-2-propan-2-ylsulfanylethanamine
CID 81231835
4-phenyl-1-quinolin-7-ylbutan-1-amine
CID 105172595
pyrimidin-2-yl(quinolin-7-yl)methanamine
CID 81220998
(1-methylcyclopropyl)-quinolin-7-ylmethanamine
CID 81231655

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine?
The IUPAC name of 2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine (CID 81231763) is 2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine.
What is the SMILES notation for 2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine?
The canonical SMILES for 2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine is CC(C)SCC(N)c1ccc2cccnc2c1.
What is the InChIKey of 2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine?
The InChIKey is MSDIJJNLYUSNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10(2)17-9-13(15)12-6-5-11-4-3-7-16-14(11)8-12/h3-8,10,13H,9,15H2,1-2H3.
What are the key properties of 2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine?
2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine is sourced from PubChem (CID 81231763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).