3-(1-amino-2-tert-butylsulfanylethyl)-4-methylpyridin-2-amine

C12H21N3S — CID 65132768

IUPAC3-(1-amino-2-tert-butylsulfanylethyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1C(N)CSC(C)(C)C
InChIInChI=1S/C12H21N3S/c1-8-5-6-15-11(14)10(8)9(13)7-16-12(2,3)4/h5-6,9H,7,13H2,1-4H3,(H2,14,15)
InChIKeyBRXWOTWKGFYHNW-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.50
Rot. Bonds3

About 3-(1-amino-2-tert-butylsulfanylethyl)-4-methylpyridin-2-amine

3-(1-amino-2-tert-butylsulfanylethyl)-4-methylpyridin-2-amine (PubChem CID 65132768) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 3-(1-amino-2-tert-butylsulfanylethyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(1-amino-2-tert-butylsulfanylethyl)-4-methylpyridin-2-amine
PubChem CID65132768
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name3-(1-amino-2-tert-butylsulfanylethyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1C(N)CSC(C)(C)C
InChIInChI=1S/C12H21N3S/c1-8-5-6-15-11(14)10(8)9(13)7-16-12(2,3)4/h5-6,9H,7,13H2,1-4H3,(H2,14,15)
InChIKeyBRXWOTWKGFYHNW-UHFFFAOYSA-N
XLogP2.50
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-tert-butylsulfanylethyl)-4-methylpyridin-2-amine?
The IUPAC name of 3-(1-amino-2-tert-butylsulfanylethyl)-4-methylpyridin-2-amine (CID 65132768) is 3-(1-amino-2-tert-butylsulfanylethyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 3-(1-amino-2-tert-butylsulfanylethyl)-4-methylpyridin-2-amine?
The canonical SMILES for 3-(1-amino-2-tert-butylsulfanylethyl)-4-methylpyridin-2-amine is Cc1ccnc(N)c1C(N)CSC(C)(C)C.
What is the InChIKey of 3-(1-amino-2-tert-butylsulfanylethyl)-4-methylpyridin-2-amine?
The InChIKey is BRXWOTWKGFYHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-8-5-6-15-11(14)10(8)9(13)7-16-12(2,3)4/h5-6,9H,7,13H2,1-4H3,(H2,14,15).
What are the key properties of 3-(1-amino-2-tert-butylsulfanylethyl)-4-methylpyridin-2-amine?
3-(1-amino-2-tert-butylsulfanylethyl)-4-methylpyridin-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-tert-butylsulfanylethyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 65132768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).