N-ethyl-2-(oxolan-2-yl)-1-thiophen-2-ylethanamine

C12H19NOS — CID 61103037

IUPACN-ethyl-2-(oxolan-2-yl)-1-thiophen-2-ylethanamine
SMILESCCNC(CC1CCCO1)c1cccs1
InChIInChI=1S/C12H19NOS/c1-2-13-11(12-6-4-8-15-12)9-10-5-3-7-14-10/h4,6,8,10-11,13H,2-3,5,7,9H2,1H3
InChIKeyBBJMJEGIBCXWGV-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.97
Rot. Bonds5

About N-ethyl-2-(oxolan-2-yl)-1-thiophen-2-ylethanamine

N-ethyl-2-(oxolan-2-yl)-1-thiophen-2-ylethanamine (PubChem CID 61103037) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-ethyl-2-(oxolan-2-yl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(oxolan-2-yl)-1-thiophen-2-ylethanamine
PubChem CID61103037
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-ethyl-2-(oxolan-2-yl)-1-thiophen-2-ylethanamine
SMILESCCNC(CC1CCCO1)c1cccs1
InChIInChI=1S/C12H19NOS/c1-2-13-11(12-6-4-8-15-12)9-10-5-3-7-14-10/h4,6,8,10-11,13H,2-3,5,7,9H2,1H3
InChIKeyBBJMJEGIBCXWGV-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxolan-2-yl)-1-thiophen-2-ylethanamine?
The IUPAC name of N-ethyl-2-(oxolan-2-yl)-1-thiophen-2-ylethanamine (CID 61103037) is N-ethyl-2-(oxolan-2-yl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-ethyl-2-(oxolan-2-yl)-1-thiophen-2-ylethanamine?
The canonical SMILES for N-ethyl-2-(oxolan-2-yl)-1-thiophen-2-ylethanamine is CCNC(CC1CCCO1)c1cccs1.
What is the InChIKey of N-ethyl-2-(oxolan-2-yl)-1-thiophen-2-ylethanamine?
The InChIKey is BBJMJEGIBCXWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-13-11(12-6-4-8-15-12)9-10-5-3-7-14-10/h4,6,8,10-11,13H,2-3,5,7,9H2,1H3.
What are the key properties of N-ethyl-2-(oxolan-2-yl)-1-thiophen-2-ylethanamine?
N-ethyl-2-(oxolan-2-yl)-1-thiophen-2-ylethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxolan-2-yl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 61103037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).