N-[(6-methyl-2-pyridinyl)methyl]-1,1-dithiophen-2-ylmethanamine

C16H16N2S2 — CID 62323365

IUPACN-[(6-methyl-2-pyridinyl)methyl]-1,1-dithiophen-2-ylmethanamine
SMILESCc1cccc(CNC(c2cccs2)c2cccs2)n1
InChIInChI=1S/C16H16N2S2/c1-12-5-2-6-13(18-12)11-17-16(14-7-3-9-19-14)15-8-4-10-20-15/h2-10,16-17H,11H2,1H3
InChIKeyAKCSPAOPDVTUDH-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.39
Rot. Bonds5

About N-[(6-methyl-2-pyridinyl)methyl]-1,1-dithiophen-2-ylmethanamine

N-[(6-methyl-2-pyridinyl)methyl]-1,1-dithiophen-2-ylmethanamine (PubChem CID 62323365) has the molecular formula C16H16N2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-1,1-dithiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-1,1-dithiophen-2-ylmethanamine
PubChem CID62323365
Molecular FormulaC16H16N2S2
Molecular Weight300.45 g/mol
Exact Mass300.08
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-1,1-dithiophen-2-ylmethanamine
SMILESCc1cccc(CNC(c2cccs2)c2cccs2)n1
InChIInChI=1S/C16H16N2S2/c1-12-5-2-6-13(18-12)11-17-16(14-7-3-9-19-14)15-8-4-10-20-15/h2-10,16-17H,11H2,1H3
InChIKeyAKCSPAOPDVTUDH-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(6-methyl-2-pyridinyl)methyl]-1,1-dithiophen-2-ylmethanamine with MolForge

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylmethanamine
CID 62323529
N-[(2-methylpyrimidin-4-yl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 61015866
N-[(1-methylpyrazol-3-yl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 78998285
1-(3-bromothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55057431
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
3,3-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine
CID 115710700
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 62321260
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 61282963
6-methyl-N-(2-thiophen-2-ylpropyl)pyridin-2-amine
CID 133483394
6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid
CID 106904477
1-N,1-N-dimethyl-2-N-[(6-methyl-2-pyridinyl)methyl]propane-1,2-diamine
CID 82939144
N-[(6-methyl-2-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 62321412

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-1,1-dithiophen-2-ylmethanamine?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-1,1-dithiophen-2-ylmethanamine (CID 62323365) is N-[(6-methyl-2-pyridinyl)methyl]-1,1-dithiophen-2-ylmethanamine.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-1,1-dithiophen-2-ylmethanamine?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-1,1-dithiophen-2-ylmethanamine is Cc1cccc(CNC(c2cccs2)c2cccs2)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-1,1-dithiophen-2-ylmethanamine?
The InChIKey is AKCSPAOPDVTUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S2/c1-12-5-2-6-13(18-12)11-17-16(14-7-3-9-19-14)15-8-4-10-20-15/h2-10,16-17H,11H2,1H3.
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-1,1-dithiophen-2-ylmethanamine?
N-[(6-methyl-2-pyridinyl)methyl]-1,1-dithiophen-2-ylmethanamine has a molecular weight of 300.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methyl]-1,1-dithiophen-2-ylmethanamine is sourced from PubChem (CID 62323365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).