N-cyclopentyloxy-1-(2,5-dimethylthiophen-3-yl)ethanamine

C13H21NOS — CID 83228314

IUPACN-cyclopentyloxy-1-(2,5-dimethylthiophen-3-yl)ethanamine
SMILESCc1cc(C(C)NOC2CCCC2)c(C)s1
InChIInChI=1S/C13H21NOS/c1-9-8-13(11(3)16-9)10(2)14-15-12-6-4-5-7-12/h8,10,12,14H,4-7H2,1-3H3
InChIKeyMMEZNPOCPMZOGG-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.89
Rot. Bonds4

About N-cyclopentyloxy-1-(2,5-dimethylthiophen-3-yl)ethanamine

N-cyclopentyloxy-1-(2,5-dimethylthiophen-3-yl)ethanamine (PubChem CID 83228314) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(2,5-dimethylthiophen-3-yl)ethanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(2,5-dimethylthiophen-3-yl)ethanamine
PubChem CID83228314
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-cyclopentyloxy-1-(2,5-dimethylthiophen-3-yl)ethanamine
SMILESCc1cc(C(C)NOC2CCCC2)c(C)s1
InChIInChI=1S/C13H21NOS/c1-9-8-13(11(3)16-9)10(2)14-15-12-6-4-5-7-12/h8,10,12,14H,4-7H2,1-3H3
InChIKeyMMEZNPOCPMZOGG-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(2,5-dimethylthiophen-3-yl)ethanamine?
The IUPAC name of N-cyclopentyloxy-1-(2,5-dimethylthiophen-3-yl)ethanamine (CID 83228314) is N-cyclopentyloxy-1-(2,5-dimethylthiophen-3-yl)ethanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(2,5-dimethylthiophen-3-yl)ethanamine?
The canonical SMILES for N-cyclopentyloxy-1-(2,5-dimethylthiophen-3-yl)ethanamine is Cc1cc(C(C)NOC2CCCC2)c(C)s1.
What is the InChIKey of N-cyclopentyloxy-1-(2,5-dimethylthiophen-3-yl)ethanamine?
The InChIKey is MMEZNPOCPMZOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-9-8-13(11(3)16-9)10(2)14-15-12-6-4-5-7-12/h8,10,12,14H,4-7H2,1-3H3.
What are the key properties of N-cyclopentyloxy-1-(2,5-dimethylthiophen-3-yl)ethanamine?
N-cyclopentyloxy-1-(2,5-dimethylthiophen-3-yl)ethanamine has a molecular weight of 239.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(2,5-dimethylthiophen-3-yl)ethanamine is sourced from PubChem (CID 83228314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).