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

C16H25NS — CID 64921530

IUPAC3-ethyl-2-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine
SMILESCCC1CCC(NCc2ccc(SC)cc2)C1C
InChIInChI=1S/C16H25NS/c1-4-14-7-10-16(12(14)2)17-11-13-5-8-15(18-3)9-6-13/h5-6,8-9,12,14,16-17H,4,7,10-11H2,1-3H3
InChIKeyNQTIWCFPFUTMKT-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.32
Rot. Bonds5

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

3-ethyl-2-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine (PubChem CID 64921530) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 3-ethyl-2-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-2-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine
PubChem CID64921530
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name3-ethyl-2-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine
SMILESCCC1CCC(NCc2ccc(SC)cc2)C1C
InChIInChI=1S/C16H25NS/c1-4-14-7-10-16(12(14)2)17-11-13-5-8-15(18-3)9-6-13/h5-6,8-9,12,14,16-17H,4,7,10-11H2,1-3H3
InChIKeyNQTIWCFPFUTMKT-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-ethyl-2-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine (CID 64921530) is 3-ethyl-2-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-2-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-ethyl-2-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine is CCC1CCC(NCc2ccc(SC)cc2)C1C.
What is the InChIKey of 3-ethyl-2-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is NQTIWCFPFUTMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-4-14-7-10-16(12(14)2)17-11-13-5-8-15(18-3)9-6-13/h5-6,8-9,12,14,16-17H,4,7,10-11H2,1-3H3.
What are the key properties of 3-ethyl-2-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine?
3-ethyl-2-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 64921530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).