1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine

C15H30N2S — CID 75428467

IUPAC1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine
SMILESCCSC1CCC(NC2CCN(CC)CC2C)C1
InChIInChI=1S/C15H30N2S/c1-4-17-9-8-15(12(3)11-17)16-13-6-7-14(10-13)18-5-2/h12-16H,4-11H2,1-3H3
InChIKeyPCPAWUNGKCLTJV-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.98
Rot. Bonds5

About 1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine

1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine (PubChem CID 75428467) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine
PubChem CID75428467
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine
SMILESCCSC1CCC(NC2CCN(CC)CC2C)C1
InChIInChI=1S/C15H30N2S/c1-4-17-9-8-15(12(3)11-17)16-13-6-7-14(10-13)18-5-2/h12-16H,4-11H2,1-3H3
InChIKeyPCPAWUNGKCLTJV-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine?
The IUPAC name of 1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine (CID 75428467) is 1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine?
The canonical SMILES for 1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine is CCSC1CCC(NC2CCN(CC)CC2C)C1.
What is the InChIKey of 1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine?
The InChIKey is PCPAWUNGKCLTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-4-17-9-8-15(12(3)11-17)16-13-6-7-14(10-13)18-5-2/h12-16H,4-11H2,1-3H3.
What are the key properties of 1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine?
1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine has a molecular weight of 270.49 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine is sourced from PubChem (CID 75428467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).