N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)-1-(thiolan-2-yl)methanamine

C15H22N2S — CID 80621797

IUPACN-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)-1-(thiolan-2-yl)methanamine
SMILESCNC(C1CCCS1)C1CCCc2cccnc21
InChIInChI=1S/C15H22N2S/c1-16-15(13-8-4-10-18-13)12-7-2-5-11-6-3-9-17-14(11)12/h3,6,9,12-13,15-16H,2,4-5,7-8,10H2,1H3
InChIKeyPBTTXUCFCUUSHO-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.99
Rot. Bonds3

About N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)-1-(thiolan-2-yl)methanamine

N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)-1-(thiolan-2-yl)methanamine (PubChem CID 80621797) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)-1-(thiolan-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)-1-(thiolan-2-yl)methanamine
PubChem CID80621797
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)-1-(thiolan-2-yl)methanamine
SMILESCNC(C1CCCS1)C1CCCc2cccnc21
InChIInChI=1S/C15H22N2S/c1-16-15(13-8-4-10-18-13)12-7-2-5-11-6-3-9-17-14(11)12/h3,6,9,12-13,15-16H,2,4-5,7-8,10H2,1H3
InChIKeyPBTTXUCFCUUSHO-UHFFFAOYSA-N
XLogP2.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)-1-(thiolan-2-yl)methanamine with MolForge

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Related Compounds

N-methyl-1-(4-methylcyclohexyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748851
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
(3-methyl-1,4-dithian-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 115386297
1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79972508
1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79972633
[cyclobutyl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine
CID 105224521
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 79740244
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine
CID 116660575
N-methyl-1-(2-methyl-3-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105164680
[7-bicyclo[4.1.0]heptanyl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine
CID 105320985

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)-1-(thiolan-2-yl)methanamine?
The IUPAC name of N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)-1-(thiolan-2-yl)methanamine (CID 80621797) is N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)-1-(thiolan-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)-1-(thiolan-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)-1-(thiolan-2-yl)methanamine is CNC(C1CCCS1)C1CCCc2cccnc21.
What is the InChIKey of N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)-1-(thiolan-2-yl)methanamine?
The InChIKey is PBTTXUCFCUUSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-16-15(13-8-4-10-18-13)12-7-2-5-11-6-3-9-17-14(11)12/h3,6,9,12-13,15-16H,2,4-5,7-8,10H2,1H3.
What are the key properties of N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)-1-(thiolan-2-yl)methanamine?
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)-1-(thiolan-2-yl)methanamine has a molecular weight of 262.42 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)-1-(thiolan-2-yl)methanamine is sourced from PubChem (CID 80621797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).