2-(2-ethylhexylsulfanyl)pyridin-3-amine

C13H22N2S — CID 63462980

IUPAC2-(2-ethylhexylsulfanyl)pyridin-3-amine
SMILESCCCCC(CC)CSc1ncccc1N
InChIInChI=1S/C13H22N2S/c1-3-5-7-11(4-2)10-16-13-12(14)8-6-9-15-13/h6,8-9,11H,3-5,7,10,14H2,1-2H3
InChIKeyFBYUAJOFYSLZGS-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.97
Rot. Bonds7

About 2-(2-ethylhexylsulfanyl)pyridin-3-amine

2-(2-ethylhexylsulfanyl)pyridin-3-amine (PubChem CID 63462980) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-(2-ethylhexylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(2-ethylhexylsulfanyl)pyridin-3-amine
PubChem CID63462980
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-(2-ethylhexylsulfanyl)pyridin-3-amine
SMILESCCCCC(CC)CSc1ncccc1N
InChIInChI=1S/C13H22N2S/c1-3-5-7-11(4-2)10-16-13-12(14)8-6-9-15-13/h6,8-9,11H,3-5,7,10,14H2,1-2H3
InChIKeyFBYUAJOFYSLZGS-UHFFFAOYSA-N
XLogP3.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylhexylsulfanyl)phenol
CID 63428168
5-tert-butyl-2-[(2R)-2-ethylhexyl]sulfanylaniline
CID 93481454
2-octan-4-ylpyridin-3-amine
CID 134178133
2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide
CID 43300815
2-but-2-ynylsulfanylpyridin-3-amine
CID 62311743
1-[3-(2-ethylhexylsulfanyl)phenyl]ethanol
CID 64665322
2-(2-ethylhexylsulfanyl)-5-(2,4,4-trimethylpentan-2-yl)aniline
CID 58980352
1-[3-(2-ethylhexylsulfanyl)phenyl]-N-methylmethanamine
CID 66348605
2-(2-ethylhexyl)pyridine-3-carboxamide
CID 71001872
2-ethyl-N-[(1R)-1-pyridin-2-ylethyl]hexan-1-amine
CID 81407759
2-(2-ethylhexylsulfanyl)-1,3-benzothiazol-6-amine
CID 63464270
(3S)-3-[[(2R)-2-ethylhexyl]sulfanylmethyl]heptane
CID 92525109

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexylsulfanyl)pyridin-3-amine?
The IUPAC name of 2-(2-ethylhexylsulfanyl)pyridin-3-amine (CID 63462980) is 2-(2-ethylhexylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 2-(2-ethylhexylsulfanyl)pyridin-3-amine?
The canonical SMILES for 2-(2-ethylhexylsulfanyl)pyridin-3-amine is CCCCC(CC)CSc1ncccc1N.
What is the InChIKey of 2-(2-ethylhexylsulfanyl)pyridin-3-amine?
The InChIKey is FBYUAJOFYSLZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-5-7-11(4-2)10-16-13-12(14)8-6-9-15-13/h6,8-9,11H,3-5,7,10,14H2,1-2H3.
What are the key properties of 2-(2-ethylhexylsulfanyl)pyridin-3-amine?
2-(2-ethylhexylsulfanyl)pyridin-3-amine has a molecular weight of 238.40 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 63462980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).