2,3-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentan-1-amine

C16H25NS — CID 64908890

IUPAC2,3-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentan-1-amine
SMILESCSc1ccc(C(C)NC2CCC(C)C2C)cc1
InChIInChI=1S/C16H25NS/c1-11-5-10-16(12(11)2)17-13(3)14-6-8-15(18-4)9-7-14/h6-9,11-13,16-17H,5,10H2,1-4H3
InChIKeyIZQUCCIMLOTZOK-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.49
Rot. Bonds4

About 2,3-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentan-1-amine

2,3-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentan-1-amine (PubChem CID 64908890) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 2,3-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentan-1-amine
PubChem CID64908890
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name2,3-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentan-1-amine
SMILESCSc1ccc(C(C)NC2CCC(C)C2C)cc1
InChIInChI=1S/C16H25NS/c1-11-5-10-16(12(11)2)17-13(3)14-6-8-15(18-4)9-7-14/h6-9,11-13,16-17H,5,10H2,1-4H3
InChIKeyIZQUCCIMLOTZOK-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
CID 64908675
5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 43433961
N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine
CID 43189980
N-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 63436798
N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
CID 79725299
[2-[1-(4-methylsulfanylphenyl)ethylamino]cyclohexyl]methanol
CID 103717066
N-[1-(4-methylsulfanylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364028
3-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentane-1,3-diamine
CID 79461227
N-[(4-methylcyclohexyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 63462112
2,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclohexan-1-amine
CID 43101166
2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]phenol
CID 64908843
1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
CID 61462428

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentan-1-amine (CID 64908890) is 2,3-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentan-1-amine is CSc1ccc(C(C)NC2CCC(C)C2C)cc1.
What is the InChIKey of 2,3-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentan-1-amine?
The InChIKey is IZQUCCIMLOTZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-11-5-10-16(12(11)2)17-13(3)14-6-8-15(18-4)9-7-14/h6-9,11-13,16-17H,5,10H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentan-1-amine?
2,3-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 64908890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).