N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine

C15H23NS — CID 43189980

IUPACN-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine
SMILESCSc1ccc(C(C)NC2CCCCC2)cc1
InChIInChI=1S/C15H23NS/c1-12(16-14-6-4-3-5-7-14)13-8-10-15(17-2)11-9-13/h8-12,14,16H,3-7H2,1-2H3
InChIKeyYASAZQKIAJJONI-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.39
Rot. Bonds4

About N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine

N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine (PubChem CID 43189980) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine
PubChem CID43189980
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine
SMILESCSc1ccc(C(C)NC2CCCCC2)cc1
InChIInChI=1S/C15H23NS/c1-12(16-14-6-4-3-5-7-14)13-8-10-15(17-2)11-9-13/h8-12,14,16H,3-7H2,1-2H3
InChIKeyYASAZQKIAJJONI-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 63436798
N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine
CID 63360226
1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine
CID 61212533
1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine
CID 43783226
3-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentane-1,3-diamine
CID 79461227
N-(1-phenylethyl)cyclododecanamine
CID 60662638
N-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 65384746
N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
CID 79725299
1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
CID 61462428
N-[1-(4-tert-butylphenyl)ethyl]cycloheptanamine
CID 43095672
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
4-[1-(cyclopentylamino)ethyl]aniline
CID 82933347

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine?
The IUPAC name of N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine (CID 43189980) is N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine.
What is the SMILES notation for N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine?
The canonical SMILES for N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine is CSc1ccc(C(C)NC2CCCCC2)cc1.
What is the InChIKey of N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine?
The InChIKey is YASAZQKIAJJONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-12(16-14-6-4-3-5-7-14)13-8-10-15(17-2)11-9-13/h8-12,14,16H,3-7H2,1-2H3.
What are the key properties of N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine?
N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine has a molecular weight of 249.42 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine is sourced from PubChem (CID 43189980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).