N-[(2,5-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine

C15H23NS — CID 103701269

IUPACN-[(2,5-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCCC1NCc1cc(C)ccc1C
InChIInChI=1S/C15H23NS/c1-11-7-8-12(2)13(9-11)10-16-14-5-4-6-15(14)17-3/h7-9,14-16H,4-6,10H2,1-3H3
InChIKeyCPKKXJSSFWWRBB-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.68
Rot. Bonds4

About N-[(2,5-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine

N-[(2,5-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine (PubChem CID 103701269) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
PubChem CID103701269
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCCC1NCc1cc(C)ccc1C
InChIInChI=1S/C15H23NS/c1-11-7-8-12(2)13(9-11)10-16-14-5-4-6-15(14)17-3/h7-9,14-16H,4-6,10H2,1-3H3
InChIKeyCPKKXJSSFWWRBB-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol
CID 113240107
N-[(3,4-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103701214
2-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 62358499
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103793218
3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 54971817
2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 103701176
N-[(3-chloro-2-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103761966
4-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol
CID 115919725
2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine
CID 113243458
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine
CID 103776706
2-chloro-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol
CID 103923196
N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 103782069

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine (CID 103701269) is N-[(2,5-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine is CSC1CCCC1NCc1cc(C)ccc1C.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The InChIKey is CPKKXJSSFWWRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-11-7-8-12(2)13(9-11)10-16-14-5-4-6-15(14)17-3/h7-9,14-16H,4-6,10H2,1-3H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine?
N-[(2,5-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 103701269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).