1-(3-methylbutan-2-ylsulfanyl)-1-pyridin-2-ylpropan-2-amine

C13H22N2S — CID 107748726

IUPAC1-(3-methylbutan-2-ylsulfanyl)-1-pyridin-2-ylpropan-2-amine
SMILESCC(C)C(C)SC(c1ccccn1)C(C)N
InChIInChI=1S/C13H22N2S/c1-9(2)11(4)16-13(10(3)14)12-7-5-6-8-15-12/h5-11,13H,14H2,1-4H3
InChIKeyZQWBVCNPJZNLCY-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.25
Rot. Bonds5

About 1-(3-methylbutan-2-ylsulfanyl)-1-pyridin-2-ylpropan-2-amine

1-(3-methylbutan-2-ylsulfanyl)-1-pyridin-2-ylpropan-2-amine (PubChem CID 107748726) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-(3-methylbutan-2-ylsulfanyl)-1-pyridin-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methylbutan-2-ylsulfanyl)-1-pyridin-2-ylpropan-2-amine
PubChem CID107748726
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-(3-methylbutan-2-ylsulfanyl)-1-pyridin-2-ylpropan-2-amine
SMILESCC(C)C(C)SC(c1ccccn1)C(C)N
InChIInChI=1S/C13H22N2S/c1-9(2)11(4)16-13(10(3)14)12-7-5-6-8-15-12/h5-11,13H,14H2,1-4H3
InChIKeyZQWBVCNPJZNLCY-UHFFFAOYSA-N
XLogP3.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

(1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 86767543
1-(3-methylbutylsulfanyl)-1-pyridin-2-ylpropan-2-amine
CID 107749133
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine
CID 15893453
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
N-methylmethanamine;1-pyridin-2-ylethanamine
CID 143812006
2-[1-(disulfanyl)ethyl]pyridine;dihydrochloride
CID 20980722
2-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82280795
3-amino-1-pyridin-2-ylbutan-1-ol
CID 151032283
5-(2-amino-1-pyridin-2-ylpropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241439
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutan-2-ylsulfanyl)-1-pyridin-2-ylpropan-2-amine?
The IUPAC name of 1-(3-methylbutan-2-ylsulfanyl)-1-pyridin-2-ylpropan-2-amine (CID 107748726) is 1-(3-methylbutan-2-ylsulfanyl)-1-pyridin-2-ylpropan-2-amine.
What is the SMILES notation for 1-(3-methylbutan-2-ylsulfanyl)-1-pyridin-2-ylpropan-2-amine?
The canonical SMILES for 1-(3-methylbutan-2-ylsulfanyl)-1-pyridin-2-ylpropan-2-amine is CC(C)C(C)SC(c1ccccn1)C(C)N.
What is the InChIKey of 1-(3-methylbutan-2-ylsulfanyl)-1-pyridin-2-ylpropan-2-amine?
The InChIKey is ZQWBVCNPJZNLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-9(2)11(4)16-13(10(3)14)12-7-5-6-8-15-12/h5-11,13H,14H2,1-4H3.
What are the key properties of 1-(3-methylbutan-2-ylsulfanyl)-1-pyridin-2-ylpropan-2-amine?
1-(3-methylbutan-2-ylsulfanyl)-1-pyridin-2-ylpropan-2-amine has a molecular weight of 238.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-ylsulfanyl)-1-pyridin-2-ylpropan-2-amine is sourced from PubChem (CID 107748726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).