3-N-(2-ethylsulfanylcyclopentyl)-2-methylbenzene-1,3-diamine

C14H22N2S — CID 114121308

IUPAC3-N-(2-ethylsulfanylcyclopentyl)-2-methylbenzene-1,3-diamine
SMILESCCSC1CCCC1Nc1cccc(N)c1C
InChIInChI=1S/C14H22N2S/c1-3-17-14-9-5-8-13(14)16-12-7-4-6-11(15)10(12)2/h4,6-7,13-14,16H,3,5,8-9,15H2,1-2H3
InChIKeyPIVNGENBOZPPDU-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.66
Rot. Bonds4

About 3-N-(2-ethylsulfanylcyclopentyl)-2-methylbenzene-1,3-diamine

3-N-(2-ethylsulfanylcyclopentyl)-2-methylbenzene-1,3-diamine (PubChem CID 114121308) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 3-N-(2-ethylsulfanylcyclopentyl)-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-ethylsulfanylcyclopentyl)-2-methylbenzene-1,3-diamine
PubChem CID114121308
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name3-N-(2-ethylsulfanylcyclopentyl)-2-methylbenzene-1,3-diamine
SMILESCCSC1CCCC1Nc1cccc(N)c1C
InChIInChI=1S/C14H22N2S/c1-3-17-14-9-5-8-13(14)16-12-7-4-6-11(15)10(12)2/h4,6-7,13-14,16H,3,5,8-9,15H2,1-2H3
InChIKeyPIVNGENBOZPPDU-UHFFFAOYSA-N
XLogP3.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

2-methyl-3-N-(2-methylsulfanylcyclohexyl)benzene-1,3-diamine
CID 114122381
1-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzene-1,4-diamine
CID 114121302
2-[(2-ethylsulfanylcyclopentyl)amino]benzoic acid
CID 114121676
5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide
CID 114122050
4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine
CID 114122138
2-N-ethyl-6-N-(2-ethylsulfanylcyclopentyl)pyridine-2,6-diamine
CID 114122162
2-[(2-ethylsulfanylcyclopentyl)amino]-5-methylbenzonitrile
CID 114121561
3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine
CID 124679598
N-(2-ethylsulfanylcyclopentyl)-5-methylpyrimidin-2-amine
CID 103858190
3-N-(2,4-dimethylcyclohexyl)-2-methylbenzene-1,3-diamine
CID 63995449
N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
CID 103725083
4-N-(2-ethylsulfanylcyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114122169

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethylsulfanylcyclopentyl)-2-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(2-ethylsulfanylcyclopentyl)-2-methylbenzene-1,3-diamine (CID 114121308) is 3-N-(2-ethylsulfanylcyclopentyl)-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-ethylsulfanylcyclopentyl)-2-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(2-ethylsulfanylcyclopentyl)-2-methylbenzene-1,3-diamine is CCSC1CCCC1Nc1cccc(N)c1C.
What is the InChIKey of 3-N-(2-ethylsulfanylcyclopentyl)-2-methylbenzene-1,3-diamine?
The InChIKey is PIVNGENBOZPPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-3-17-14-9-5-8-13(14)16-12-7-4-6-11(15)10(12)2/h4,6-7,13-14,16H,3,5,8-9,15H2,1-2H3.
What are the key properties of 3-N-(2-ethylsulfanylcyclopentyl)-2-methylbenzene-1,3-diamine?
3-N-(2-ethylsulfanylcyclopentyl)-2-methylbenzene-1,3-diamine has a molecular weight of 250.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethylsulfanylcyclopentyl)-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 114121308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).