2-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylsulfanylbutan-1-amine

C15H26N2OS — CID 103933089

IUPAC2-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylsulfanylbutan-1-amine
SMILESCCC(CC)(CNCc1cc(OC)cc(C)n1)SC
InChIInChI=1S/C15H26N2OS/c1-6-15(7-2,19-5)11-16-10-13-9-14(18-4)8-12(3)17-13/h8-9,16H,6-7,10-11H2,1-5H3
InChIKeyMRTJZBGSCWUJTE-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.41
Rot. Bonds8

About 2-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylsulfanylbutan-1-amine

2-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylsulfanylbutan-1-amine (PubChem CID 103933089) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylsulfanylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylsulfanylbutan-1-amine
PubChem CID103933089
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name2-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylsulfanylbutan-1-amine
SMILESCCC(CC)(CNCc1cc(OC)cc(C)n1)SC
InChIInChI=1S/C15H26N2OS/c1-6-15(7-2,19-5)11-16-10-13-9-14(18-4)8-12(3)17-13/h8-9,16H,6-7,10-11H2,1-5H3
InChIKeyMRTJZBGSCWUJTE-UHFFFAOYSA-N
XLogP3.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylsulfanylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylsulfanylbutan-1-amine?
The IUPAC name of 2-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylsulfanylbutan-1-amine (CID 103933089) is 2-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylsulfanylbutan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylsulfanylbutan-1-amine?
The canonical SMILES for 2-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylsulfanylbutan-1-amine is CCC(CC)(CNCc1cc(OC)cc(C)n1)SC.
What is the InChIKey of 2-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylsulfanylbutan-1-amine?
The InChIKey is MRTJZBGSCWUJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-6-15(7-2,19-5)11-16-10-13-9-14(18-4)8-12(3)17-13/h8-9,16H,6-7,10-11H2,1-5H3.
What are the key properties of 2-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylsulfanylbutan-1-amine?
2-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylsulfanylbutan-1-amine has a molecular weight of 282.45 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylsulfanylbutan-1-amine is sourced from PubChem (CID 103933089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).