3,5-difluoro-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine

C13H18F2N2S — CID 114117150

IUPAC3,5-difluoro-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
SMILESCSC1(CNc2ncc(F)cc2F)CCCCC1
InChIInChI=1S/C13H18F2N2S/c1-18-13(5-3-2-4-6-13)9-17-12-11(15)7-10(14)8-16-12/h7-8H,2-6,9H2,1H3,(H,16,17)
InChIKeyWEHGJDJXBHTSAM-UHFFFAOYSA-N
MW272.36 g/mol
LogP3.84
Rot. Bonds4

About 3,5-difluoro-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine

3,5-difluoro-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine (PubChem CID 114117150) has the molecular formula C13H18F2N2S and a molecular weight of 272.36 g/mol. Its IUPAC name is 3,5-difluoro-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
PubChem CID114117150
Molecular FormulaC13H18F2N2S
Molecular Weight272.36 g/mol
Exact Mass272.12
IUPAC Name3,5-difluoro-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
SMILESCSC1(CNc2ncc(F)cc2F)CCCCC1
InChIInChI=1S/C13H18F2N2S/c1-18-13(5-3-2-4-6-13)9-17-12-11(15)7-10(14)8-16-12/h7-8H,2-6,9H2,1H3,(H,16,17)
InChIKeyWEHGJDJXBHTSAM-UHFFFAOYSA-N
XLogP3.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine
CID 112676032
N-[[1-(dimethylamino)cyclobutyl]methyl]-3,5-difluoropyridin-2-amine
CID 105419130
1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 79728355
5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
CID 114117145
3-bromo-4-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
CID 114117198
3,5-difluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine
CID 112675888
5-chloro-4-N-[(1-methylsulfanylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 114117730
6-[(1-methylsulfanylcyclohexyl)methylamino]pyridine-3-carboxylic acid
CID 114116581
5-bromo-N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridin-2-amine
CID 114047951
5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 107268789
3,5-difluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617532
3,5-difluoro-N-[(2-methylcyclopentyl)methyl]pyridin-2-amine
CID 107419343

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine (CID 114117150) is 3,5-difluoro-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine is CSC1(CNc2ncc(F)cc2F)CCCCC1.
What is the InChIKey of 3,5-difluoro-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine?
The InChIKey is WEHGJDJXBHTSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2S/c1-18-13(5-3-2-4-6-13)9-17-12-11(15)7-10(14)8-16-12/h7-8H,2-6,9H2,1H3,(H,16,17).
What are the key properties of 3,5-difluoro-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine?
3,5-difluoro-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine has a molecular weight of 272.36 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine is sourced from PubChem (CID 114117150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).