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

C17H22N2S2 — CID 103345763

IUPAC1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-5-ylmethanamine
SMILESCNC(c1cccc2ncccc12)C1CSC(C)C(C)S1
InChIInChI=1S/C17H22N2S2/c1-11-12(2)21-16(10-20-11)17(18-3)14-6-4-8-15-13(14)7-5-9-19-15/h4-9,11-12,16-18H,10H2,1-3H3
InChIKeyDZXRPCOVDVQZJD-UHFFFAOYSA-N
MW318.51 g/mol
LogP4.12
Rot. Bonds3

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

1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-5-ylmethanamine (PubChem CID 103345763) 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-5-ylmethanamine.

Molecular Properties

Compound Name1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-5-ylmethanamine
PubChem CID103345763
Molecular FormulaC17H22N2S2
Molecular Weight318.51 g/mol
Exact Mass318.12
IUPAC Name1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-5-ylmethanamine
SMILESCNC(c1cccc2ncccc12)C1CSC(C)C(C)S1
InChIInChI=1S/C17H22N2S2/c1-11-12(2)21-16(10-20-11)17(18-3)14-6-4-8-15-13(14)7-5-9-19-15/h4-9,11-12,16-18H,10H2,1-3H3
InChIKeyDZXRPCOVDVQZJD-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-8-ylmethanamine
CID 103345711
1-(7-bicyclo[4.1.0]heptanyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020098
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
N-methyl-1-(4-methylmorpholin-2-yl)-1-quinolin-5-ylmethanamine
CID 81231144
N-methyl-1-quinolin-5-yl-2-(thian-4-yl)ethanamine
CID 105171945
[quinolin-5-yl(thiolan-3-yl)methyl]hydrazine
CID 105327009
[(5,6-dimethyl-1,4-dithian-2-yl)-(2-methoxyphenyl)methyl]hydrazine
CID 103347185
quinolin-5-yl(thiolan-2-yl)methanamine
CID 81224263
[(5-methyloxolan-2-yl)-quinolin-5-ylmethyl]hydrazine
CID 105326995
3-[(5,6-dimethyl-1,4-dithian-2-yl)-hydrazinylmethyl]pyridin-4-amine
CID 103347226
CID 158967293
CID 158967293

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-5-ylmethanamine?
The IUPAC name of 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-5-ylmethanamine (CID 103345763) is 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-5-ylmethanamine.
What is the SMILES notation for 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-5-ylmethanamine?
The canonical SMILES for 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-5-ylmethanamine is CNC(c1cccc2ncccc12)C1CSC(C)C(C)S1.
What is the InChIKey of 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-5-ylmethanamine?
The InChIKey is DZXRPCOVDVQZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S2/c1-11-12(2)21-16(10-20-11)17(18-3)14-6-4-8-15-13(14)7-5-9-19-15/h4-9,11-12,16-18H,10H2,1-3H3.
What are the key properties of 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-5-ylmethanamine?
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-5-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-5-ylmethanamine is sourced from PubChem (CID 103345763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).