2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine

C13H26N2S — CID 114628849

IUPAC2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine
SMILESC1CC(CCNCCSC2CCNCC2)C1
InChIInChI=1S/C13H26N2S/c1-2-12(3-1)4-7-15-10-11-16-13-5-8-14-9-6-13/h12-15H,1-11H2
InChIKeyWJPQWVOHUPRWLG-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.25
Rot. Bonds7

About 2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine

2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine (PubChem CID 114628849) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine
PubChem CID114628849
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine
SMILESC1CC(CCNCCSC2CCNCC2)C1
InChIInChI=1S/C13H26N2S/c1-2-12(3-1)4-7-15-10-11-16-13-5-8-14-9-6-13/h12-15H,1-11H2
InChIKeyWJPQWVOHUPRWLG-UHFFFAOYSA-N
XLogP2.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-cyclopentylsulfanylethyl)piperidine
CID 105061347
2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine
CID 12017335
1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine
CID 114628856
2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine;hydrochloride
CID 22723059
2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine
CID 114628750
1-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine
CID 114628852
4-(2-fluoroethylsulfanyl)piperidine
CID 84651739
3-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine
CID 114628845
2,4,4-trimethyl-N-(2-piperidin-4-ylsulfanylethyl)pentan-2-amine
CID 114628486
2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine
CID 114628792
4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104864449
N-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine
CID 115230614

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine?
The IUPAC name of 2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine (CID 114628849) is 2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine?
The canonical SMILES for 2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine is C1CC(CCNCCSC2CCNCC2)C1.
What is the InChIKey of 2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine?
The InChIKey is WJPQWVOHUPRWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-2-12(3-1)4-7-15-10-11-16-13-5-8-14-9-6-13/h12-15H,1-11H2.
What are the key properties of 2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine?
2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine has a molecular weight of 242.43 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine is sourced from PubChem (CID 114628849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).