2-methyl-3-N-(2-methylsulfanylcyclohexyl)benzene-1,3-diamine

C14H22N2S — CID 114122381

IUPAC2-methyl-3-N-(2-methylsulfanylcyclohexyl)benzene-1,3-diamine
SMILESCSC1CCCCC1Nc1cccc(N)c1C
InChIInChI=1S/C14H22N2S/c1-10-11(15)6-5-8-12(10)16-13-7-3-4-9-14(13)17-2/h5-6,8,13-14,16H,3-4,7,9,15H2,1-2H3
InChIKeyNOOZGYVICNCOEU-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.66
Rot. Bonds3

About 2-methyl-3-N-(2-methylsulfanylcyclohexyl)benzene-1,3-diamine

2-methyl-3-N-(2-methylsulfanylcyclohexyl)benzene-1,3-diamine (PubChem CID 114122381) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-methyl-3-N-(2-methylsulfanylcyclohexyl)benzene-1,3-diamine.

Molecular Properties

Compound Name2-methyl-3-N-(2-methylsulfanylcyclohexyl)benzene-1,3-diamine
PubChem CID114122381
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name2-methyl-3-N-(2-methylsulfanylcyclohexyl)benzene-1,3-diamine
SMILESCSC1CCCCC1Nc1cccc(N)c1C
InChIInChI=1S/C14H22N2S/c1-10-11(15)6-5-8-12(10)16-13-7-3-4-9-14(13)17-2/h5-6,8,13-14,16H,3-4,7,9,15H2,1-2H3
InChIKeyNOOZGYVICNCOEU-UHFFFAOYSA-N
XLogP3.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-N-(2-ethylsulfanylcyclopentyl)-2-methylbenzene-1,3-diamine
CID 114121308
3-N-(2,4-dimethylcyclohexyl)-2-methylbenzene-1,3-diamine
CID 63995449
4-fluoro-5-methyl-1-N-(2-methylsulfanylcyclopentyl)benzene-1,2-diamine
CID 114121281
3-chloro-N-(2-methylsulfanylcyclohexyl)-2-nitroaniline
CID 114123762
4-chloro-5-fluoro-1-N-(2-methylsulfanylcyclohexyl)benzene-1,2-diamine
CID 114122397
2-chloro-6-[(2-methylsulfanylcyclopentyl)amino]benzonitrile
CID 114121558
4-methyl-2-N-(2-methylsulfanylcyclohexyl)pyridine-2,5-diamine
CID 114122386
1-N-(2-methylsulfanylcyclopentyl)-4-nitrobenzene-1,2-diamine
CID 114121297
N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide
CID 55136606
2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 104859269
N-(2-methylsulfanylcyclohexyl)pyridazin-3-amine
CID 103703351
N-(3-amino-2-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43266827

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-N-(2-methylsulfanylcyclohexyl)benzene-1,3-diamine?
The IUPAC name of 2-methyl-3-N-(2-methylsulfanylcyclohexyl)benzene-1,3-diamine (CID 114122381) is 2-methyl-3-N-(2-methylsulfanylcyclohexyl)benzene-1,3-diamine.
What is the SMILES notation for 2-methyl-3-N-(2-methylsulfanylcyclohexyl)benzene-1,3-diamine?
The canonical SMILES for 2-methyl-3-N-(2-methylsulfanylcyclohexyl)benzene-1,3-diamine is CSC1CCCCC1Nc1cccc(N)c1C.
What is the InChIKey of 2-methyl-3-N-(2-methylsulfanylcyclohexyl)benzene-1,3-diamine?
The InChIKey is NOOZGYVICNCOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-10-11(15)6-5-8-12(10)16-13-7-3-4-9-14(13)17-2/h5-6,8,13-14,16H,3-4,7,9,15H2,1-2H3.
What are the key properties of 2-methyl-3-N-(2-methylsulfanylcyclohexyl)benzene-1,3-diamine?
2-methyl-3-N-(2-methylsulfanylcyclohexyl)benzene-1,3-diamine has a molecular weight of 250.41 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-N-(2-methylsulfanylcyclohexyl)benzene-1,3-diamine is sourced from PubChem (CID 114122381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).