N-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine

C15H24N2S — CID 65384746

IUPACN-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
SMILESCSc1ccc(C(CN)NC2CCCCC2)cc1
InChIInChI=1S/C15H24N2S/c1-18-14-9-7-12(8-10-14)15(11-16)17-13-5-3-2-4-6-13/h7-10,13,15,17H,2-6,11,16H2,1H3
InChIKeyRLXZKSIQOSXBSI-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.33
Rot. Bonds5

About N-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine

N-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine (PubChem CID 65384746) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
PubChem CID65384746
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
SMILESCSc1ccc(C(CN)NC2CCCCC2)cc1
InChIInChI=1S/C15H24N2S/c1-18-14-9-7-12(8-10-14)15(11-16)17-13-5-3-2-4-6-13/h7-10,13,15,17H,2-6,11,16H2,1H3
InChIKeyRLXZKSIQOSXBSI-UHFFFAOYSA-N
XLogP3.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-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

N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine
CID 43189980
N-cycloheptyl-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65379732
N-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 105476319
N-cycloheptyl-1-thiophen-3-ylethane-1,2-diamine
CID 65381151
N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
CID 65383732
N-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine
CID 106528693
N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 65381340
methyl 2-(cyclohexylamino)-2-(4-methylsulfanylphenyl)acetate
CID 60997375
N-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 62070851
N-cycloheptyl-1-(furan-3-yl)ethane-1,2-diamine
CID 65380747
N-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65385001
1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine
CID 105405049

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine (CID 65384746) is N-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine is CSc1ccc(C(CN)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine?
The InChIKey is RLXZKSIQOSXBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-18-14-9-7-12(8-10-14)15(11-16)17-13-5-3-2-4-6-13/h7-10,13,15,17H,2-6,11,16H2,1H3.
What are the key properties of N-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine?
N-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine has a molecular weight of 264.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65384746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).