1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-8-ylmethanamine

C17H22N2S2 — CID 103345711

IUPAC1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-8-ylmethanamine
SMILESCNC(c1cccc2cccnc12)C1CSC(C)C(C)S1
InChIInChI=1S/C17H22N2S2/c1-11-12(2)21-15(10-20-11)17(18-3)14-8-4-6-13-7-5-9-19-16(13)14/h4-9,11-12,15,17-18H,10H2,1-3H3
InChIKeyFPXSZSZGHBABGL-UHFFFAOYSA-N
MW318.51 g/mol
LogP4.12
Rot. Bonds3

About 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-8-ylmethanamine

1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-8-ylmethanamine (PubChem CID 103345711) has the molecular formula C17H22N2S2 and a molecular weight of 318.51 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-8-ylmethanamine.

Molecular Properties

Compound Name1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-8-ylmethanamine
PubChem CID103345711
Molecular FormulaC17H22N2S2
Molecular Weight318.51 g/mol
Exact Mass318.12
IUPAC Name1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-8-ylmethanamine
SMILESCNC(c1cccc2cccnc12)C1CSC(C)C(C)S1
InChIInChI=1S/C17H22N2S2/c1-11-12(2)21-15(10-20-11)17(18-3)14-8-4-6-13-7-5-9-19-16(13)14/h4-9,11-12,15,17-18H,10H2,1-3H3
InChIKeyFPXSZSZGHBABGL-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-5-ylmethanamine
CID 103345763
1-cyclopropyl-N-methyl-1-quinolin-8-ylmethanamine
CID 81220023
1-cyclopentyl-N-methyl-1-quinolin-8-ylmethanamine
CID 81231662
1-(5,6-dimethyl-1,4-dithian-2-yl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 103345994
1-(2-cyclobutylphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103345806
(5,6-dimethyl-1,4-dithian-2-yl)-quinolin-8-ylmethanone
CID 103344942
N-methyl-1-(2-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine
CID 105172443
N-[(5,6-dimethyl-1,4-dithian-2-yl)-pyridin-3-ylmethyl]ethanamine
CID 103346089
1-(5,6-dimethyl-1,4-dithian-2-yl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 103345907
3-[(5,6-dimethyl-1,4-dithian-2-yl)-hydrazinylmethyl]pyridin-4-amine
CID 103347226
N-[(5-methyloxolan-3-yl)-quinolin-8-ylmethyl]ethanamine
CID 105021388
N-[6-bicyclo[3.1.0]hexanyl(quinolin-8-yl)methyl]ethanamine
CID 105021311

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-8-ylmethanamine?
The IUPAC name of 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-8-ylmethanamine (CID 103345711) is 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-8-ylmethanamine.
What is the SMILES notation for 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-8-ylmethanamine?
The canonical SMILES for 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-8-ylmethanamine is CNC(c1cccc2cccnc12)C1CSC(C)C(C)S1.
What is the InChIKey of 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-8-ylmethanamine?
The InChIKey is FPXSZSZGHBABGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S2/c1-11-12(2)21-15(10-20-11)17(18-3)14-8-4-6-13-7-5-9-19-16(13)14/h4-9,11-12,15,17-18H,10H2,1-3H3.
What are the key properties of 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-8-ylmethanamine?
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-8-ylmethanamine has a molecular weight of 318.51 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-8-ylmethanamine is sourced from PubChem (CID 103345711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).