3,5,6-trimethyl-4-(5-methylthiophen-2-yl)-3,4-dihydropyridin-2-amine

C13H18N2S — CID 57010335

IUPAC3,5,6-trimethyl-4-(5-methylthiophen-2-yl)-3,4-dihydropyridin-2-amine
SMILESCC1=C(C)C(c2ccc(C)s2)C(C)C(N)=N1
InChIInChI=1S/C13H18N2S/c1-7-5-6-11(16-7)12-8(2)10(4)15-13(14)9(12)3/h5-6,9,12H,1-4H3,(H2,14,15)
InChIKeyDECBYQDBUQKQLU-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.44
Rot. Bonds1

About 3,5,6-trimethyl-4-(5-methylthiophen-2-yl)-3,4-dihydropyridin-2-amine

3,5,6-trimethyl-4-(5-methylthiophen-2-yl)-3,4-dihydropyridin-2-amine (PubChem CID 57010335) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 3,5,6-trimethyl-4-(5-methylthiophen-2-yl)-3,4-dihydropyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trimethyl-4-(5-methylthiophen-2-yl)-3,4-dihydropyridin-2-amine
PubChem CID57010335
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name3,5,6-trimethyl-4-(5-methylthiophen-2-yl)-3,4-dihydropyridin-2-amine
SMILESCC1=C(C)C(c2ccc(C)s2)C(C)C(N)=N1
InChIInChI=1S/C13H18N2S/c1-7-5-6-11(16-7)12-8(2)10(4)15-13(14)9(12)3/h5-6,9,12H,1-4H3,(H2,14,15)
InChIKeyDECBYQDBUQKQLU-UHFFFAOYSA-N
XLogP3.44
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-4-(5-methylthiophen-2-yl)-3,4-dihydropyridin-2-amine?
The IUPAC name of 3,5,6-trimethyl-4-(5-methylthiophen-2-yl)-3,4-dihydropyridin-2-amine (CID 57010335) is 3,5,6-trimethyl-4-(5-methylthiophen-2-yl)-3,4-dihydropyridin-2-amine.
What is the SMILES notation for 3,5,6-trimethyl-4-(5-methylthiophen-2-yl)-3,4-dihydropyridin-2-amine?
The canonical SMILES for 3,5,6-trimethyl-4-(5-methylthiophen-2-yl)-3,4-dihydropyridin-2-amine is CC1=C(C)C(c2ccc(C)s2)C(C)C(N)=N1.
What is the InChIKey of 3,5,6-trimethyl-4-(5-methylthiophen-2-yl)-3,4-dihydropyridin-2-amine?
The InChIKey is DECBYQDBUQKQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-7-5-6-11(16-7)12-8(2)10(4)15-13(14)9(12)3/h5-6,9,12H,1-4H3,(H2,14,15).
What are the key properties of 3,5,6-trimethyl-4-(5-methylthiophen-2-yl)-3,4-dihydropyridin-2-amine?
3,5,6-trimethyl-4-(5-methylthiophen-2-yl)-3,4-dihydropyridin-2-amine has a molecular weight of 234.37 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-4-(5-methylthiophen-2-yl)-3,4-dihydropyridin-2-amine is sourced from PubChem (CID 57010335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).