1-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentan-1-amine

C13H21NS — CID 115916040

IUPAC1-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentan-1-amine
SMILESCC(Cc1cccs1)NC1(C)CCCC1
InChIInChI=1S/C13H21NS/c1-11(10-12-6-5-9-15-12)14-13(2)7-3-4-8-13/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3
InChIKeyODUUQMITZUQKOI-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.60
Rot. Bonds4

About 1-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentan-1-amine

1-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentan-1-amine (PubChem CID 115916040) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 1-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentan-1-amine
PubChem CID115916040
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name1-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentan-1-amine
SMILESCC(Cc1cccs1)NC1(C)CCCC1
InChIInChI=1S/C13H21NS/c1-11(10-12-6-5-9-15-12)14-13(2)7-3-4-8-13/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3
InChIKeyODUUQMITZUQKOI-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentan-1-amine?
The IUPAC name of 1-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentan-1-amine (CID 115916040) is 1-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentan-1-amine?
The canonical SMILES for 1-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentan-1-amine is CC(Cc1cccs1)NC1(C)CCCC1.
What is the InChIKey of 1-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentan-1-amine?
The InChIKey is ODUUQMITZUQKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-11(10-12-6-5-9-15-12)14-13(2)7-3-4-8-13/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentan-1-amine?
1-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 115916040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).