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

C13H21NS — CID 102837866

IUPACN-ethyl-3-methyl-3-(2-methylthiophen-3-yl)cyclopentan-1-amine
SMILESCCNC1CCC(C)(c2ccsc2C)C1
InChIInChI=1S/C13H21NS/c1-4-14-11-5-7-13(3,9-11)12-6-8-15-10(12)2/h6,8,11,14H,4-5,7,9H2,1-3H3
InChIKeyGDQJNONFKQYARZ-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.48
Rot. Bonds3

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

N-ethyl-3-methyl-3-(2-methylthiophen-3-yl)cyclopentan-1-amine (PubChem CID 102837866) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-ethyl-3-methyl-3-(2-methylthiophen-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-3-(2-methylthiophen-3-yl)cyclopentan-1-amine
PubChem CID102837866
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-ethyl-3-methyl-3-(2-methylthiophen-3-yl)cyclopentan-1-amine
SMILESCCNC1CCC(C)(c2ccsc2C)C1
InChIInChI=1S/C13H21NS/c1-4-14-11-5-7-13(3,9-11)12-6-8-15-10(12)2/h6,8,11,14H,4-5,7,9H2,1-3H3
InChIKeyGDQJNONFKQYARZ-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-3-(2-methylthiophen-3-yl)cyclopentan-1-amine?
The IUPAC name of N-ethyl-3-methyl-3-(2-methylthiophen-3-yl)cyclopentan-1-amine (CID 102837866) is N-ethyl-3-methyl-3-(2-methylthiophen-3-yl)cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-3-(2-methylthiophen-3-yl)cyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-3-(2-methylthiophen-3-yl)cyclopentan-1-amine is CCNC1CCC(C)(c2ccsc2C)C1.
What is the InChIKey of N-ethyl-3-methyl-3-(2-methylthiophen-3-yl)cyclopentan-1-amine?
The InChIKey is GDQJNONFKQYARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-4-14-11-5-7-13(3,9-11)12-6-8-15-10(12)2/h6,8,11,14H,4-5,7,9H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-3-(2-methylthiophen-3-yl)cyclopentan-1-amine?
N-ethyl-3-methyl-3-(2-methylthiophen-3-yl)cyclopentan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-3-(2-methylthiophen-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 102837866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).