5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine

C13H19BrN2S — CID 114117145

IUPAC5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
SMILESCSC1(CNc2ccc(Br)cn2)CCCCC1
InChIInChI=1S/C13H19BrN2S/c1-17-13(7-3-2-4-8-13)10-16-12-6-5-11(14)9-15-12/h5-6,9H,2-4,7-8,10H2,1H3,(H,15,16)
InChIKeyBVTGPXUOJJMLID-UHFFFAOYSA-N
MW315.28 g/mol
LogP4.32
Rot. Bonds4

About 5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine

5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine (PubChem CID 114117145) has the molecular formula C13H19BrN2S and a molecular weight of 315.28 g/mol. Its IUPAC name is 5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
PubChem CID114117145
Molecular FormulaC13H19BrN2S
Molecular Weight315.28 g/mol
Exact Mass314.05
IUPAC Name5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
SMILESCSC1(CNc2ccc(Br)cn2)CCCCC1
InChIInChI=1S/C13H19BrN2S/c1-17-13(7-3-2-4-8-13)10-16-12-6-5-11(14)9-15-12/h5-6,9H,2-4,7-8,10H2,1H3,(H,15,16)
InChIKeyBVTGPXUOJJMLID-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1-methylsulfanylcyclohexyl)methylamino]pyridine-3-carboxylic acid
CID 114116581
5-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine
CID 115363614
4-bromo-2-N-[(1-methylsulfanylcyclopentyl)methyl]benzene-1,2-diamine
CID 114115686
2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-methylcyclohexan-1-ol
CID 133344187
5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]pyridin-3-amine
CID 107268827
5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 107268789
5-bromo-4-N-[(1-methylsulfanylcyclohexyl)methyl]pyridine-3,4-diamine
CID 114115717
2-chloro-6-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyrimidin-4-amine
CID 114117339
3,5-difluoro-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
CID 114117150
N-[(1-methylsulfanylcyclobutyl)methyl]pyridazin-3-amine
CID 107268844
6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine
CID 107268817
N-[(1-methylsulfanylcyclopropyl)methyl]quinoxalin-2-amine
CID 107268964

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine (CID 114117145) is 5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine is CSC1(CNc2ccc(Br)cn2)CCCCC1.
What is the InChIKey of 5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine?
The InChIKey is BVTGPXUOJJMLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2S/c1-17-13(7-3-2-4-8-13)10-16-12-6-5-11(14)9-15-12/h5-6,9H,2-4,7-8,10H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine?
5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine has a molecular weight of 315.28 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine is sourced from PubChem (CID 114117145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).