4-methyl-2-N-(2-methylsulfanylcyclohexyl)pyridine-2,5-diamine

C13H21N3S — CID 114122386

IUPAC4-methyl-2-N-(2-methylsulfanylcyclohexyl)pyridine-2,5-diamine
SMILESCSC1CCCCC1Nc1cc(C)c(N)cn1
InChIInChI=1S/C13H21N3S/c1-9-7-13(15-8-10(9)14)16-11-5-3-4-6-12(11)17-2/h7-8,11-12H,3-6,14H2,1-2H3,(H,15,16)
InChIKeySOZWSBQSXKILLP-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.06
Rot. Bonds3

About 4-methyl-2-N-(2-methylsulfanylcyclohexyl)pyridine-2,5-diamine

4-methyl-2-N-(2-methylsulfanylcyclohexyl)pyridine-2,5-diamine (PubChem CID 114122386) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 4-methyl-2-N-(2-methylsulfanylcyclohexyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name4-methyl-2-N-(2-methylsulfanylcyclohexyl)pyridine-2,5-diamine
PubChem CID114122386
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name4-methyl-2-N-(2-methylsulfanylcyclohexyl)pyridine-2,5-diamine
SMILESCSC1CCCCC1Nc1cc(C)c(N)cn1
InChIInChI=1S/C13H21N3S/c1-9-7-13(15-8-10(9)14)16-11-5-3-4-6-12(11)17-2/h7-8,11-12H,3-6,14H2,1-2H3,(H,15,16)
InChIKeySOZWSBQSXKILLP-UHFFFAOYSA-N
XLogP3.06
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-methylsulfanylcyclohexyl)-5-nitropyridin-2-amine
CID 103718501
1,5-dimethyl-N-(2-methylsulfanylcyclohexyl)pyrazol-3-amine
CID 115922008
2-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,2-diamine
CID 114869475
5-[(2-methylsulfanylcyclopentyl)amino]pyrazine-2-carbothioamide
CID 114121592
5-methyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103858164
4-fluoro-5-methyl-1-N-(2-methylsulfanylcyclopentyl)benzene-1,2-diamine
CID 114121281
6-chloro-2-N-(2-methylsulfanylcyclopentyl)pyridine-2,4-diamine
CID 104924476
2-N-cyclohex-3-en-1-yl-4-methylpyridine-2,5-diamine
CID 79176344
2-methyl-3-N-(2-methylsulfanylcyclohexyl)benzene-1,3-diamine
CID 114122381
2-methyl-N-(2-methylsulfanylcyclohexyl)pyridin-4-amine
CID 104924401
2-methyl-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carbonitrile
CID 114123234
5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide
CID 114122049

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-(2-methylsulfanylcyclohexyl)pyridine-2,5-diamine?
The IUPAC name of 4-methyl-2-N-(2-methylsulfanylcyclohexyl)pyridine-2,5-diamine (CID 114122386) is 4-methyl-2-N-(2-methylsulfanylcyclohexyl)pyridine-2,5-diamine.
What is the SMILES notation for 4-methyl-2-N-(2-methylsulfanylcyclohexyl)pyridine-2,5-diamine?
The canonical SMILES for 4-methyl-2-N-(2-methylsulfanylcyclohexyl)pyridine-2,5-diamine is CSC1CCCCC1Nc1cc(C)c(N)cn1.
What is the InChIKey of 4-methyl-2-N-(2-methylsulfanylcyclohexyl)pyridine-2,5-diamine?
The InChIKey is SOZWSBQSXKILLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-9-7-13(15-8-10(9)14)16-11-5-3-4-6-12(11)17-2/h7-8,11-12H,3-6,14H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-2-N-(2-methylsulfanylcyclohexyl)pyridine-2,5-diamine?
4-methyl-2-N-(2-methylsulfanylcyclohexyl)pyridine-2,5-diamine has a molecular weight of 251.40 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-(2-methylsulfanylcyclohexyl)pyridine-2,5-diamine is sourced from PubChem (CID 114122386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).