2-(cyclopentylmethoxy)-2-thiophen-3-ylethanamine

C12H19NOS — CID 66321305

IUPAC2-(cyclopentylmethoxy)-2-thiophen-3-ylethanamine
SMILESNCC(OCC1CCCC1)c1ccsc1
InChIInChI=1S/C12H19NOS/c13-7-12(11-5-6-15-9-11)14-8-10-3-1-2-4-10/h5-6,9-10,12H,1-4,7-8,13H2
InChIKeyKZULPXKKFNVCPJ-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.95
Rot. Bonds5

About 2-(cyclopentylmethoxy)-2-thiophen-3-ylethanamine

2-(cyclopentylmethoxy)-2-thiophen-3-ylethanamine (PubChem CID 66321305) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-2-thiophen-3-ylethanamine
PubChem CID66321305
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-(cyclopentylmethoxy)-2-thiophen-3-ylethanamine
SMILESNCC(OCC1CCCC1)c1ccsc1
InChIInChI=1S/C12H19NOS/c13-7-12(11-5-6-15-9-11)14-8-10-3-1-2-4-10/h5-6,9-10,12H,1-4,7-8,13H2
InChIKeyKZULPXKKFNVCPJ-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)-2-thiophen-3-ylethanamine?
The IUPAC name of 2-(cyclopentylmethoxy)-2-thiophen-3-ylethanamine (CID 66321305) is 2-(cyclopentylmethoxy)-2-thiophen-3-ylethanamine.
What is the SMILES notation for 2-(cyclopentylmethoxy)-2-thiophen-3-ylethanamine?
The canonical SMILES for 2-(cyclopentylmethoxy)-2-thiophen-3-ylethanamine is NCC(OCC1CCCC1)c1ccsc1.
What is the InChIKey of 2-(cyclopentylmethoxy)-2-thiophen-3-ylethanamine?
The InChIKey is KZULPXKKFNVCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c13-7-12(11-5-6-15-9-11)14-8-10-3-1-2-4-10/h5-6,9-10,12H,1-4,7-8,13H2.
What are the key properties of 2-(cyclopentylmethoxy)-2-thiophen-3-ylethanamine?
2-(cyclopentylmethoxy)-2-thiophen-3-ylethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 66321305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).