1-cyclopropyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine

C13H20N2S — CID 102926585

IUPAC1-cyclopropyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine
SMILESCNC(CSc1cc(C)cc(C)n1)C1CC1
InChIInChI=1S/C13H20N2S/c1-9-6-10(2)15-13(7-9)16-8-12(14-3)11-4-5-11/h6-7,11-12,14H,4-5,8H2,1-3H3
InChIKeyNFRHZRMTOXUUPR-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.79
Rot. Bonds5

About 1-cyclopropyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine

1-cyclopropyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine (PubChem CID 102926585) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine
PubChem CID102926585
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name1-cyclopropyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine
SMILESCNC(CSc1cc(C)cc(C)n1)C1CC1
InChIInChI=1S/C13H20N2S/c1-9-6-10(2)15-13(7-9)16-8-12(14-3)11-4-5-11/h6-7,11-12,14H,4-5,8H2,1-3H3
InChIKeyNFRHZRMTOXUUPR-UHFFFAOYSA-N
XLogP2.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine
CID 102926365
1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine
CID 104755547
1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N,3-dimethylbutan-2-amine
CID 102926419
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)ethanamine
CID 102926336
methyl 2-(cyclopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanoate
CID 102925697
1-cyclopropyl-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 65040912
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine
CID 102926370
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine
CID 102926592
1-(2,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine
CID 102926366
1-(3,5-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102926515
1-cyclopentyl-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
CID 104755526
1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 104755571

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine?
The IUPAC name of 1-cyclopropyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine (CID 102926585) is 1-cyclopropyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine?
The canonical SMILES for 1-cyclopropyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine is CNC(CSc1cc(C)cc(C)n1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine?
The InChIKey is NFRHZRMTOXUUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-9-6-10(2)15-13(7-9)16-8-12(14-3)11-4-5-11/h6-7,11-12,14H,4-5,8H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine?
1-cyclopropyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine has a molecular weight of 236.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine is sourced from PubChem (CID 102926585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).