N-[1-(2-methylpropylsulfanyl)propan-2-yl]pyridin-3-amine

C12H20N2S — CID 115727204

IUPACN-[1-(2-methylpropylsulfanyl)propan-2-yl]pyridin-3-amine
SMILESCC(C)CSCC(C)Nc1cccnc1
InChIInChI=1S/C12H20N2S/c1-10(2)8-15-9-11(3)14-12-5-4-6-13-7-12/h4-7,10-11,14H,8-9H2,1-3H3
InChIKeyYAAVKORZHDROFT-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.27
Rot. Bonds6

About N-[1-(2-methylpropylsulfanyl)propan-2-yl]pyridin-3-amine

N-[1-(2-methylpropylsulfanyl)propan-2-yl]pyridin-3-amine (PubChem CID 115727204) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[1-(2-methylpropylsulfanyl)propan-2-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(2-methylpropylsulfanyl)propan-2-yl]pyridin-3-amine
PubChem CID115727204
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[1-(2-methylpropylsulfanyl)propan-2-yl]pyridin-3-amine
SMILESCC(C)CSCC(C)Nc1cccnc1
InChIInChI=1S/C12H20N2S/c1-10(2)8-15-9-11(3)14-12-5-4-6-13-7-12/h4-7,10-11,14H,8-9H2,1-3H3
InChIKeyYAAVKORZHDROFT-UHFFFAOYSA-N
XLogP3.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methylhexan-2-yl)pyridin-3-amine
CID 43190619
2-(pyridin-3-ylamino)propan-1-ol
CID 166774410
N-[(3R)-2-methylpentan-3-yl]pyridin-3-amine
CID 67725342
molecular hydrogen;1-(pyridin-3-ylamino)ethanethiol
CID 143056439
N-[1-(4-methoxyphenyl)propan-2-yl]pyridin-3-amine
CID 43508676
2-(2-methylpropylsulfanyl)-1-pyridin-3-ylethanone
CID 65138190
N-(2-methylbutyl)pyridin-3-amine
CID 43200734
(2S)-2-(pyridin-3-ylamino)propanoic acid
CID 159663521
N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine
CID 79541111
N-methyl-N'-pyridin-3-ylmethanediamine
CID 115226589
N-methylsulfanylpyridin-3-amine
CID 126541026
ethane;N-methylpyridin-3-amine
CID 91430147

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropylsulfanyl)propan-2-yl]pyridin-3-amine?
The IUPAC name of N-[1-(2-methylpropylsulfanyl)propan-2-yl]pyridin-3-amine (CID 115727204) is N-[1-(2-methylpropylsulfanyl)propan-2-yl]pyridin-3-amine.
What is the SMILES notation for N-[1-(2-methylpropylsulfanyl)propan-2-yl]pyridin-3-amine?
The canonical SMILES for N-[1-(2-methylpropylsulfanyl)propan-2-yl]pyridin-3-amine is CC(C)CSCC(C)Nc1cccnc1.
What is the InChIKey of N-[1-(2-methylpropylsulfanyl)propan-2-yl]pyridin-3-amine?
The InChIKey is YAAVKORZHDROFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10(2)8-15-9-11(3)14-12-5-4-6-13-7-12/h4-7,10-11,14H,8-9H2,1-3H3.
What are the key properties of N-[1-(2-methylpropylsulfanyl)propan-2-yl]pyridin-3-amine?
N-[1-(2-methylpropylsulfanyl)propan-2-yl]pyridin-3-amine has a molecular weight of 224.37 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropylsulfanyl)propan-2-yl]pyridin-3-amine is sourced from PubChem (CID 115727204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).