3-bromo-4-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine

C14H21BrN2S — CID 114117198

IUPAC3-bromo-4-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
SMILESCSC1(CNc2nccc(C)c2Br)CCCCC1
InChIInChI=1S/C14H21BrN2S/c1-11-6-9-16-13(12(11)15)17-10-14(18-2)7-4-3-5-8-14/h6,9H,3-5,7-8,10H2,1-2H3,(H,16,17)
InChIKeyNFDCIEAHUQECMV-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.63
Rot. Bonds4

About 3-bromo-4-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine

3-bromo-4-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine (PubChem CID 114117198) has the molecular formula C14H21BrN2S and a molecular weight of 329.31 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
PubChem CID114117198
Molecular FormulaC14H21BrN2S
Molecular Weight329.31 g/mol
Exact Mass328.06
IUPAC Name3-bromo-4-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
SMILESCSC1(CNc2nccc(C)c2Br)CCCCC1
InChIInChI=1S/C14H21BrN2S/c1-11-6-9-16-13(12(11)15)17-10-14(18-2)7-4-3-5-8-14/h6,9H,3-5,7-8,10H2,1-2H3,(H,16,17)
InChIKeyNFDCIEAHUQECMV-UHFFFAOYSA-N
XLogP4.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine
CID 106875830
4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile
CID 107268914
5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
CID 114117145
5-bromo-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762599
3-bromo-N-[1-(chloromethyl)cyclopentyl]-4-methylpyridin-2-amine
CID 106878934
3-bromo-4-methyl-N-(1-methylcyclobutyl)pyridin-2-amine
CID 106875940
2-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-3-carbothioamide
CID 114116385
3,5-difluoro-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
CID 114117150
3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine
CID 106878907
3-[(1-methylsulfanylcyclopentyl)methylamino]pyridazine-4-carbothioamide
CID 114116400
N-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine
CID 106875424
3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine
CID 106875769

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine?
The IUPAC name of 3-bromo-4-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine (CID 114117198) is 3-bromo-4-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-4-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-4-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine is CSC1(CNc2nccc(C)c2Br)CCCCC1.
What is the InChIKey of 3-bromo-4-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine?
The InChIKey is NFDCIEAHUQECMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2S/c1-11-6-9-16-13(12(11)15)17-10-14(18-2)7-4-3-5-8-14/h6,9H,3-5,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of 3-bromo-4-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine?
3-bromo-4-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine has a molecular weight of 329.31 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine is sourced from PubChem (CID 114117198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).