2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclopentan-1-amine

C12H25NS — CID 115726067

IUPAC2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclopentan-1-amine
SMILESCCC1CCCC1NCC(C)(C)SC
InChIInChI=1S/C12H25NS/c1-5-10-7-6-8-11(10)13-9-12(2,3)14-4/h10-11,13H,5-9H2,1-4H3
InChIKeyKDHCRKMVHKPNFZ-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.30
Rot. Bonds5

About 2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclopentan-1-amine

2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclopentan-1-amine (PubChem CID 115726067) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclopentan-1-amine
PubChem CID115726067
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclopentan-1-amine
SMILESCCC1CCCC1NCC(C)(C)SC
InChIInChI=1S/C12H25NS/c1-5-10-7-6-8-11(10)13-9-12(2,3)14-4/h10-11,13H,5-9H2,1-4H3
InChIKeyKDHCRKMVHKPNFZ-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclopentan-1-amine?
The IUPAC name of 2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclopentan-1-amine (CID 115726067) is 2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclopentan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclopentan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclopentan-1-amine is CCC1CCCC1NCC(C)(C)SC.
What is the InChIKey of 2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclopentan-1-amine?
The InChIKey is KDHCRKMVHKPNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-5-10-7-6-8-11(10)13-9-12(2,3)14-4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclopentan-1-amine?
2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclopentan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclopentan-1-amine is sourced from PubChem (CID 115726067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).