N-(4,4-dimethylthian-3-yl)-2-methylpyridin-3-amine

C13H20N2S — CID 79948628

IUPACN-(4,4-dimethylthian-3-yl)-2-methylpyridin-3-amine
SMILESCc1ncccc1NC1CSCCC1(C)C
InChIInChI=1S/C13H20N2S/c1-10-11(5-4-7-14-10)15-12-9-16-8-6-13(12,2)3/h4-5,7,12,15H,6,8-9H2,1-3H3
InChIKeyDEUKLIVIBRHPIK-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.33
Rot. Bonds2

About N-(4,4-dimethylthian-3-yl)-2-methylpyridin-3-amine

N-(4,4-dimethylthian-3-yl)-2-methylpyridin-3-amine (PubChem CID 79948628) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-(4,4-dimethylthian-3-yl)-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-(4,4-dimethylthian-3-yl)-2-methylpyridin-3-amine
PubChem CID79948628
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN-(4,4-dimethylthian-3-yl)-2-methylpyridin-3-amine
SMILESCc1ncccc1NC1CSCCC1(C)C
InChIInChI=1S/C13H20N2S/c1-10-11(5-4-7-14-10)15-12-9-16-8-6-13(12,2)3/h4-5,7,12,15H,6,8-9H2,1-3H3
InChIKeyDEUKLIVIBRHPIK-UHFFFAOYSA-N
XLogP3.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylthian-3-yl)-2-methylpyridin-3-amine?
The IUPAC name of N-(4,4-dimethylthian-3-yl)-2-methylpyridin-3-amine (CID 79948628) is N-(4,4-dimethylthian-3-yl)-2-methylpyridin-3-amine.
What is the SMILES notation for N-(4,4-dimethylthian-3-yl)-2-methylpyridin-3-amine?
The canonical SMILES for N-(4,4-dimethylthian-3-yl)-2-methylpyridin-3-amine is Cc1ncccc1NC1CSCCC1(C)C.
What is the InChIKey of N-(4,4-dimethylthian-3-yl)-2-methylpyridin-3-amine?
The InChIKey is DEUKLIVIBRHPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-10-11(5-4-7-14-10)15-12-9-16-8-6-13(12,2)3/h4-5,7,12,15H,6,8-9H2,1-3H3.
What are the key properties of N-(4,4-dimethylthian-3-yl)-2-methylpyridin-3-amine?
N-(4,4-dimethylthian-3-yl)-2-methylpyridin-3-amine has a molecular weight of 236.38 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylthian-3-yl)-2-methylpyridin-3-amine is sourced from PubChem (CID 79948628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).