N-[(3-ethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine

C15H24N2S2 — CID 115388066

IUPACN-[(3-ethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)C1SCCSC1CC
InChIInChI=1S/C15H24N2S2/c1-4-13-15(19-9-8-18-13)14(16-5-2)12-7-6-11(3)17-10-12/h6-7,10,13-16H,4-5,8-9H2,1-3H3
InChIKeyWSIXEYZERCDRNV-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.67
Rot. Bonds5

About N-[(3-ethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine

N-[(3-ethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 115388066) has the molecular formula C15H24N2S2 and a molecular weight of 296.50 g/mol. Its IUPAC name is N-[(3-ethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID115388066
Molecular FormulaC15H24N2S2
Molecular Weight296.50 g/mol
Exact Mass296.14
IUPAC NameN-[(3-ethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)C1SCCSC1CC
InChIInChI=1S/C15H24N2S2/c1-4-13-15(19-9-8-18-13)14(16-5-2)12-7-6-11(3)17-10-12/h6-7,10,13-16H,4-5,8-9H2,1-3H3
InChIKeyWSIXEYZERCDRNV-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-1,4-dithian-2-yl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 115387979
N-[(3-ethyl-1,4-dithian-2-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115388086
N-[(3-methyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115387398
N-[(2,2-dimethylcyclopropyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 107004419
N-[(6-methyl-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115854998
N-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 65415133
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 64984458
N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105146207
N-[(2-methyloxolan-3-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854932
N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155732
1-(3-ethyl-1,4-dithian-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 113299723
[(3-ethyl-1,4-dithian-2-yl)-quinolin-7-ylmethyl]hydrazine
CID 105259841

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3-ethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine (CID 115388066) is N-[(3-ethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1ccc(C)nc1)C1SCCSC1CC.
What is the InChIKey of N-[(3-ethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is WSIXEYZERCDRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S2/c1-4-13-15(19-9-8-18-13)14(16-5-2)12-7-6-11(3)17-10-12/h6-7,10,13-16H,4-5,8-9H2,1-3H3.
What are the key properties of N-[(3-ethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
N-[(3-ethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 296.50 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 115388066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).