N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine

C10H16N2S — CID 112650180

IUPACN-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine
SMILESCSCCNCc1ncccc1C
InChIInChI=1S/C10H16N2S/c1-9-4-3-5-12-10(9)8-11-6-7-13-2/h3-5,11H,6-8H2,1-2H3
InChIKeyMBZLRSFTBKDALN-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.84
Rot. Bonds5

About N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine

N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine (PubChem CID 112650180) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine
PubChem CID112650180
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine
SMILESCSCCNCc1ncccc1C
InChIInChI=1S/C10H16N2S/c1-9-4-3-5-12-10(9)8-11-6-7-13-2/h3-5,11H,6-8H2,1-2H3
InChIKeyMBZLRSFTBKDALN-UHFFFAOYSA-N
XLogP1.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pentan-1-amine
CID 107320423
N-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide
CID 106336628
N-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63305984
2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide
CID 114385023
2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 112640127
N-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine
CID 60658226
2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide
CID 106238176
2-(4-bromophenoxy)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305980
N-[(3-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400057
2-ethoxy-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114942154
1-(3-methyl-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 63305626
1-(3-methylcyclopentyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 107412827

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine (CID 112650180) is N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine is CSCCNCc1ncccc1C.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine?
The InChIKey is MBZLRSFTBKDALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-9-4-3-5-12-10(9)8-11-6-7-13-2/h3-5,11H,6-8H2,1-2H3.
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine?
N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine has a molecular weight of 196.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine is sourced from PubChem (CID 112650180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).