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

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Related Compounds

2,2,3,3-tetrafluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 103529375
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine
CID 82893583
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]decan-1-amine
CID 82887891
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 82893513
(4-methoxy-6-methyl-2-pyridinyl)methylhydrazine
CID 82893343
2-ethyl-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylbutan-1-amine
CID 103702080
2-ethyl-2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 82892839
3-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-3-amine
CID 82895519
1-(4-methoxy-6-methyl-2-pyridinyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 82893756
2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]acetic acid
CID 82893407
3-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]pentan-1-ol
CID 82893538
5,5,5-trifluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-1-amine
CID 82893914

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).