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

C12H19NOS — CID 61040078

IUPACN-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCC1CCCO1)c1cccs1
InChIInChI=1S/C12H19NOS/c1-10(12-5-3-9-15-12)13-7-6-11-4-2-8-14-11/h3,5,9-11,13H,2,4,6-8H2,1H3
InChIKeyUGEOLXFZYIZXGE-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.97
Rot. Bonds5

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

N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine (PubChem CID 61040078) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
PubChem CID61040078
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCC1CCCO1)c1cccs1
InChIInChI=1S/C12H19NOS/c1-10(12-5-3-9-15-12)13-7-6-11-4-2-8-14-11/h3,5,9-11,13H,2,4,6-8H2,1H3
InChIKeyUGEOLXFZYIZXGE-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-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine (CID 61040078) is N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine is CC(NCCC1CCCO1)c1cccs1.
What is the InChIKey of N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is UGEOLXFZYIZXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10(12-5-3-9-15-12)13-7-6-11-4-2-8-14-11/h3,5,9-11,13H,2,4,6-8H2,1H3.
What are the key properties of N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine?
N-[2-(oxolan-2-yl)ethyl]-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-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 61040078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).