5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine

C13H22N2S — CID 107874875

IUPAC5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine
SMILESCSC(C)CNc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C13H22N2S/c1-10(16-5)8-14-12-7-6-11(9-15-12)13(2,3)4/h6-7,9-10H,8H2,1-5H3,(H,14,15)
InChIKeyZBPZLBJOJOSIOK-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.54
Rot. Bonds4

About 5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine

5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine (PubChem CID 107874875) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine
PubChem CID107874875
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine
SMILESCSC(C)CNc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C13H22N2S/c1-10(16-5)8-14-12-7-6-11(9-15-12)13(2,3)4/h6-7,9-10H,8H2,1-5H3,(H,14,15)
InChIKeyZBPZLBJOJOSIOK-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4-methylpyridine
CID 1533
2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
2-(Benzylamino)pyridine
CID 23362
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
2-Pyridinamine, N-methyl-
CID 20727
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
Thiourea, N-(2-phenylethyl)-N'-2-pyridinyl-
CID 799959
Thiourea, N-(5-methyl-2-pyridinyl)-N'-(2-phenylethyl)-
CID 971434
4-Ethylpyridin-2-amine
CID 118425
4,5-Dimethylpyridin-2-amine
CID 12404013
(3-Methyl-pyridin-2-yl)-thiourea
CID 1480047

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine?
The IUPAC name of 5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine (CID 107874875) is 5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine?
The canonical SMILES for 5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine is CSC(C)CNc1ccc(C(C)(C)C)cn1.
What is the InChIKey of 5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine?
The InChIKey is ZBPZLBJOJOSIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10(16-5)8-14-12-7-6-11(9-15-12)13(2,3)4/h6-7,9-10H,8H2,1-5H3,(H,14,15).
What are the key properties of 5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine?
5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine has a molecular weight of 238.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine is sourced from PubChem (CID 107874875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).