3-(2-amino-3-tert-butylsulfanylpropyl)pyridin-2-amine

C12H21N3S — CID 65132377

IUPAC3-(2-amino-3-tert-butylsulfanylpropyl)pyridin-2-amine
SMILESCC(C)(C)SCC(N)Cc1cccnc1N
InChIInChI=1S/C12H21N3S/c1-12(2,3)16-8-10(13)7-9-5-4-6-15-11(9)14/h4-6,10H,7-8,13H2,1-3H3,(H2,14,15)
InChIKeyNKGIELCLWFOYJE-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.07
Rot. Bonds4

About 3-(2-amino-3-tert-butylsulfanylpropyl)pyridin-2-amine

3-(2-amino-3-tert-butylsulfanylpropyl)pyridin-2-amine (PubChem CID 65132377) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 3-(2-amino-3-tert-butylsulfanylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(2-amino-3-tert-butylsulfanylpropyl)pyridin-2-amine
PubChem CID65132377
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name3-(2-amino-3-tert-butylsulfanylpropyl)pyridin-2-amine
SMILESCC(C)(C)SCC(N)Cc1cccnc1N
InChIInChI=1S/C12H21N3S/c1-12(2,3)16-8-10(13)7-9-5-4-6-15-11(9)14/h4-6,10H,7-8,13H2,1-3H3,(H2,14,15)
InChIKeyNKGIELCLWFOYJE-UHFFFAOYSA-N
XLogP2.07
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpropyl)pyridin-2-amine
CID 20771927
3-(2-hydrazinyl-3-propan-2-ylsulfanylpropyl)pyridin-2-amine
CID 105226241
3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine
CID 103443859
3-(aminomethyl)pyridin-2-amine;2,2-dimethylpropane;ethane
CID 162183420
3-(3-aminopentyl)pyridin-2-amine
CID 64505573
3-(1-amino-2-tert-butylsulfanylethyl)-4-methylpyridin-2-amine
CID 65132768
3-(2-amino-3-methyl-3-morpholin-4-ylpentyl)pyridin-2-amine
CID 79065403
2-tert-butylsulfanyl-1-quinolin-5-ylethanamine
CID 81231907
3-[2-methyl-3-(methylamino)propyl]pyridin-2-amine
CID 64664973
3-[3-(2-chlorophenyl)sulfanyl-2-hydrazinylpropyl]pyridin-2-amine
CID 105237744
2-tert-butylsulfanyl-1-quinolin-6-ylethanamine
CID 81232046
1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol
CID 82684971

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3-tert-butylsulfanylpropyl)pyridin-2-amine?
The IUPAC name of 3-(2-amino-3-tert-butylsulfanylpropyl)pyridin-2-amine (CID 65132377) is 3-(2-amino-3-tert-butylsulfanylpropyl)pyridin-2-amine.
What is the SMILES notation for 3-(2-amino-3-tert-butylsulfanylpropyl)pyridin-2-amine?
The canonical SMILES for 3-(2-amino-3-tert-butylsulfanylpropyl)pyridin-2-amine is CC(C)(C)SCC(N)Cc1cccnc1N.
What is the InChIKey of 3-(2-amino-3-tert-butylsulfanylpropyl)pyridin-2-amine?
The InChIKey is NKGIELCLWFOYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-12(2,3)16-8-10(13)7-9-5-4-6-15-11(9)14/h4-6,10H,7-8,13H2,1-3H3,(H2,14,15).
What are the key properties of 3-(2-amino-3-tert-butylsulfanylpropyl)pyridin-2-amine?
3-(2-amino-3-tert-butylsulfanylpropyl)pyridin-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3-tert-butylsulfanylpropyl)pyridin-2-amine is sourced from PubChem (CID 65132377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).