1-(2-methylbutylsulfanyl)-1-pyridin-3-ylpropan-2-amine

C13H22N2S — CID 107748954

IUPAC1-(2-methylbutylsulfanyl)-1-pyridin-3-ylpropan-2-amine
SMILESCCC(C)CSC(c1cccnc1)C(C)N
InChIInChI=1S/C13H22N2S/c1-4-10(2)9-16-13(11(3)14)12-6-5-7-15-8-12/h5-8,10-11,13H,4,9,14H2,1-3H3
InChIKeyAOLQPZLMLSNGPA-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.25
Rot. Bonds6

About 1-(2-methylbutylsulfanyl)-1-pyridin-3-ylpropan-2-amine

1-(2-methylbutylsulfanyl)-1-pyridin-3-ylpropan-2-amine (PubChem CID 107748954) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-(2-methylbutylsulfanyl)-1-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2-methylbutylsulfanyl)-1-pyridin-3-ylpropan-2-amine
PubChem CID107748954
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-(2-methylbutylsulfanyl)-1-pyridin-3-ylpropan-2-amine
SMILESCCC(C)CSC(c1cccnc1)C(C)N
InChIInChI=1S/C13H22N2S/c1-4-10(2)9-16-13(11(3)14)12-6-5-7-15-8-12/h5-8,10-11,13H,4,9,14H2,1-3H3
InChIKeyAOLQPZLMLSNGPA-UHFFFAOYSA-N
XLogP3.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-amino-1-pyridin-3-ylpropyl)sulfanylpropan-1-ol
CID 66114950
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine
CID 112657794
3-methyl-1-pyridin-3-ylbutane-1,4-diamine
CID 116934246
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
(1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol
CID 130710949
1-(4-methylsulfonylphenyl)sulfanyl-1-pyridin-3-ylpropan-2-amine
CID 63238084
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
2-methyl-1-pyridin-3-ylpentan-1-amine
CID 115799302
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
2-methyl-1-pyridin-3-ylpropane-1,3-diamine
CID 116933165
5-methyl-N-(1-pyridin-3-ylethyl)heptan-3-amine
CID 43203612

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutylsulfanyl)-1-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-(2-methylbutylsulfanyl)-1-pyridin-3-ylpropan-2-amine (CID 107748954) is 1-(2-methylbutylsulfanyl)-1-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-(2-methylbutylsulfanyl)-1-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-(2-methylbutylsulfanyl)-1-pyridin-3-ylpropan-2-amine is CCC(C)CSC(c1cccnc1)C(C)N.
What is the InChIKey of 1-(2-methylbutylsulfanyl)-1-pyridin-3-ylpropan-2-amine?
The InChIKey is AOLQPZLMLSNGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-10(2)9-16-13(11(3)14)12-6-5-7-15-8-12/h5-8,10-11,13H,4,9,14H2,1-3H3.
What are the key properties of 1-(2-methylbutylsulfanyl)-1-pyridin-3-ylpropan-2-amine?
1-(2-methylbutylsulfanyl)-1-pyridin-3-ylpropan-2-amine has a molecular weight of 238.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutylsulfanyl)-1-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 107748954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).