N-(2-cyclopentylsulfanylethyl)pentan-2-amine

C12H25NS — CID 63115660

IUPACN-(2-cyclopentylsulfanylethyl)pentan-2-amine
SMILESCCCC(C)NCCSC1CCCC1
InChIInChI=1S/C12H25NS/c1-3-6-11(2)13-9-10-14-12-7-4-5-8-12/h11-13H,3-10H2,1-2H3
InChIKeyNYFPSJPKJZVJIS-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.44
Rot. Bonds7

About N-(2-cyclopentylsulfanylethyl)pentan-2-amine

N-(2-cyclopentylsulfanylethyl)pentan-2-amine (PubChem CID 63115660) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)pentan-2-amine.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)pentan-2-amine
PubChem CID63115660
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-(2-cyclopentylsulfanylethyl)pentan-2-amine
SMILESCCCC(C)NCCSC1CCCC1
InChIInChI=1S/C12H25NS/c1-3-6-11(2)13-9-10-14-12-7-4-5-8-12/h11-13H,3-10H2,1-2H3
InChIKeyNYFPSJPKJZVJIS-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylethyl)pentan-2-amine?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)pentan-2-amine (CID 63115660) is N-(2-cyclopentylsulfanylethyl)pentan-2-amine.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)pentan-2-amine?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)pentan-2-amine is CCCC(C)NCCSC1CCCC1.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)pentan-2-amine?
The InChIKey is NYFPSJPKJZVJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-3-6-11(2)13-9-10-14-12-7-4-5-8-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-(2-cyclopentylsulfanylethyl)pentan-2-amine?
N-(2-cyclopentylsulfanylethyl)pentan-2-amine has a molecular weight of 215.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)pentan-2-amine is sourced from PubChem (CID 63115660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).