N-ethyl-3-(3-methylthiophen-2-yl)cyclopentan-1-amine

C12H19NS — CID 79995426

IUPACN-ethyl-3-(3-methylthiophen-2-yl)cyclopentan-1-amine
SMILESCCNC1CCC(c2sccc2C)C1
InChIInChI=1S/C12H19NS/c1-3-13-11-5-4-10(8-11)12-9(2)6-7-14-12/h6-7,10-11,13H,3-5,8H2,1-2H3
InChIKeyGJAFCDNJAUAYRA-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.30
Rot. Bonds3

About N-ethyl-3-(3-methylthiophen-2-yl)cyclopentan-1-amine

N-ethyl-3-(3-methylthiophen-2-yl)cyclopentan-1-amine (PubChem CID 79995426) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-ethyl-3-(3-methylthiophen-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-methylthiophen-2-yl)cyclopentan-1-amine
PubChem CID79995426
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-ethyl-3-(3-methylthiophen-2-yl)cyclopentan-1-amine
SMILESCCNC1CCC(c2sccc2C)C1
InChIInChI=1S/C12H19NS/c1-3-13-11-5-4-10(8-11)12-9(2)6-7-14-12/h6-7,10-11,13H,3-5,8H2,1-2H3
InChIKeyGJAFCDNJAUAYRA-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methylthiophen-2-yl)cyclopentan-1-amine?
The IUPAC name of N-ethyl-3-(3-methylthiophen-2-yl)cyclopentan-1-amine (CID 79995426) is N-ethyl-3-(3-methylthiophen-2-yl)cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-methylthiophen-2-yl)cyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-(3-methylthiophen-2-yl)cyclopentan-1-amine is CCNC1CCC(c2sccc2C)C1.
What is the InChIKey of N-ethyl-3-(3-methylthiophen-2-yl)cyclopentan-1-amine?
The InChIKey is GJAFCDNJAUAYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-3-13-11-5-4-10(8-11)12-9(2)6-7-14-12/h6-7,10-11,13H,3-5,8H2,1-2H3.
What are the key properties of N-ethyl-3-(3-methylthiophen-2-yl)cyclopentan-1-amine?
N-ethyl-3-(3-methylthiophen-2-yl)cyclopentan-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methylthiophen-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 79995426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).