1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N,3-dimethylbutan-2-amine

C13H22N2S — CID 102926419

IUPAC1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N,3-dimethylbutan-2-amine
SMILESCNC(CSc1cc(C)cc(C)n1)C(C)C
InChIInChI=1S/C13H22N2S/c1-9(2)12(14-5)8-16-13-7-10(3)6-11(4)15-13/h6-7,9,12,14H,8H2,1-5H3
InChIKeyLEIXVCKXUOLGNU-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.03
Rot. Bonds5

About 1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N,3-dimethylbutan-2-amine

1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N,3-dimethylbutan-2-amine (PubChem CID 102926419) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N,3-dimethylbutan-2-amine
PubChem CID102926419
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N,3-dimethylbutan-2-amine
SMILESCNC(CSc1cc(C)cc(C)n1)C(C)C
InChIInChI=1S/C13H22N2S/c1-9(2)12(14-5)8-16-13-7-10(3)6-11(4)15-13/h6-7,9,12,14H,8H2,1-5H3
InChIKeyLEIXVCKXUOLGNU-UHFFFAOYSA-N
XLogP3.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.03
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
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)ethanamine
CID 102926336
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine
CID 102926370
1-cyclopropyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine
CID 102926585
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpentan-3-amine
CID 102926363
1-(2,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine
CID 102926366
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine
CID 102926592
1-(3,5-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102926515
2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-3,3,3-trifluoropropanoic acid
CID 102924432
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102924478
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 102926409
3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-phenylpropanenitrile
CID 102924899

Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N,3-dimethylbutan-2-amine?
The IUPAC name of 1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N,3-dimethylbutan-2-amine (CID 102926419) is 1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N,3-dimethylbutan-2-amine is CNC(CSc1cc(C)cc(C)n1)C(C)C.
What is the InChIKey of 1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N,3-dimethylbutan-2-amine?
The InChIKey is LEIXVCKXUOLGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-9(2)12(14-5)8-16-13-7-10(3)6-11(4)15-13/h6-7,9,12,14H,8H2,1-5H3.
What are the key properties of 1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N,3-dimethylbutan-2-amine?
1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N,3-dimethylbutan-2-amine has a molecular weight of 238.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 102926419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).