N-methyl-1-[1-(thiophen-3-ylmethyl)cyclopentyl]methanamine

C12H19NS — CID 62724795

IUPACN-methyl-1-[1-(thiophen-3-ylmethyl)cyclopentyl]methanamine
SMILESCNCC1(Cc2ccsc2)CCCC1
InChIInChI=1S/C12H19NS/c1-13-10-12(5-2-3-6-12)8-11-4-7-14-9-11/h4,7,9,13H,2-3,5-6,8,10H2,1H3
InChIKeyWFEKYBLMGJEUBO-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.07
Rot. Bonds4

About N-methyl-1-[1-(thiophen-3-ylmethyl)cyclopentyl]methanamine

N-methyl-1-[1-(thiophen-3-ylmethyl)cyclopentyl]methanamine (PubChem CID 62724795) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-methyl-1-[1-(thiophen-3-ylmethyl)cyclopentyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(thiophen-3-ylmethyl)cyclopentyl]methanamine
PubChem CID62724795
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-methyl-1-[1-(thiophen-3-ylmethyl)cyclopentyl]methanamine
SMILESCNCC1(Cc2ccsc2)CCCC1
InChIInChI=1S/C12H19NS/c1-13-10-12(5-2-3-6-12)8-11-4-7-14-9-11/h4,7,9,13H,2-3,5-6,8,10H2,1H3
InChIKeyWFEKYBLMGJEUBO-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(thiophen-3-ylmethyl)cyclopentyl]methanamine?
The IUPAC name of N-methyl-1-[1-(thiophen-3-ylmethyl)cyclopentyl]methanamine (CID 62724795) is N-methyl-1-[1-(thiophen-3-ylmethyl)cyclopentyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(thiophen-3-ylmethyl)cyclopentyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(thiophen-3-ylmethyl)cyclopentyl]methanamine is CNCC1(Cc2ccsc2)CCCC1.
What is the InChIKey of N-methyl-1-[1-(thiophen-3-ylmethyl)cyclopentyl]methanamine?
The InChIKey is WFEKYBLMGJEUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-13-10-12(5-2-3-6-12)8-11-4-7-14-9-11/h4,7,9,13H,2-3,5-6,8,10H2,1H3.
What are the key properties of N-methyl-1-[1-(thiophen-3-ylmethyl)cyclopentyl]methanamine?
N-methyl-1-[1-(thiophen-3-ylmethyl)cyclopentyl]methanamine has a molecular weight of 209.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(thiophen-3-ylmethyl)cyclopentyl]methanamine is sourced from PubChem (CID 62724795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).