4-N-(2-ethylsulfanylethyl)-4-N-methylcyclohexane-1,4-diamine

C11H24N2S — CID 115741540

IUPAC4-N-(2-ethylsulfanylethyl)-4-N-methylcyclohexane-1,4-diamine
SMILESCCSCCN(C)C1CCC(N)CC1
InChIInChI=1S/C11H24N2S/c1-3-14-9-8-13(2)11-6-4-10(12)5-7-11/h10-11H,3-9,12H2,1-2H3
InChIKeyAELYHBNPLFGPTC-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.94
Rot. Bonds5

About 4-N-(2-ethylsulfanylethyl)-4-N-methylcyclohexane-1,4-diamine

4-N-(2-ethylsulfanylethyl)-4-N-methylcyclohexane-1,4-diamine (PubChem CID 115741540) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 4-N-(2-ethylsulfanylethyl)-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethylsulfanylethyl)-4-N-methylcyclohexane-1,4-diamine
PubChem CID115741540
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name4-N-(2-ethylsulfanylethyl)-4-N-methylcyclohexane-1,4-diamine
SMILESCCSCCN(C)C1CCC(N)CC1
InChIInChI=1S/C11H24N2S/c1-3-14-9-8-13(2)11-6-4-10(12)5-7-11/h10-11H,3-9,12H2,1-2H3
InChIKeyAELYHBNPLFGPTC-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-N-(2-ethylsulfanylethyl)-4-N-methylcyclohexane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(2-ethylsulfonylethyl)-4-N-methylcyclohexane-1,4-diamine
CID 79121429
N-(2-ethylsulfanylethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 115756004
N-[2-(2-aminoethylsulfanyl)ethyl]-N-methylcyclohexanamine
CID 39101878
4-[(4-aminocyclohexyl)-methylamino]butanenitrile
CID 79121422
4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine
CID 115741538
4-[amino(methyl)amino]cyclohexan-1-amine
CID 131970686
4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62807255
4-(2-ethylsulfanylethoxy)cyclohexan-1-amine
CID 102729302
4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
CID 79121272
4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
CID 62807259
4-N-but-3-enyl-4-N-propylcyclohexane-1,4-diamine
CID 79111807
4-[[cyclopropyl(propyl)amino]methyl]cyclohexan-1-amine
CID 60850888

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylsulfanylethyl)-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(2-ethylsulfanylethyl)-4-N-methylcyclohexane-1,4-diamine (CID 115741540) is 4-N-(2-ethylsulfanylethyl)-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(2-ethylsulfanylethyl)-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(2-ethylsulfanylethyl)-4-N-methylcyclohexane-1,4-diamine is CCSCCN(C)C1CCC(N)CC1.
What is the InChIKey of 4-N-(2-ethylsulfanylethyl)-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is AELYHBNPLFGPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-3-14-9-8-13(2)11-6-4-10(12)5-7-11/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 4-N-(2-ethylsulfanylethyl)-4-N-methylcyclohexane-1,4-diamine?
4-N-(2-ethylsulfanylethyl)-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 216.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylsulfanylethyl)-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 115741540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).