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

C13H21NOS — CID 61038856

IUPACN-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCCC1CCCO1)c1cccs1
InChIInChI=1S/C13H21NOS/c1-2-12(13-6-4-10-16-13)14-8-7-11-5-3-9-15-11/h4,6,10-12,14H,2-3,5,7-9H2,1H3
InChIKeyZLNULBMGHWJONX-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.36
Rot. Bonds6

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

N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 61038856) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID61038856
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCCC1CCCO1)c1cccs1
InChIInChI=1S/C13H21NOS/c1-2-12(13-6-4-10-16-13)14-8-7-11-5-3-9-15-11/h4,6,10-12,14H,2-3,5,7-9H2,1H3
InChIKeyZLNULBMGHWJONX-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.36
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-ylpropan-1-amine?
The IUPAC name of N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine (CID 61038856) is N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine is CCC(NCCC1CCCO1)c1cccs1.
What is the InChIKey of N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is ZLNULBMGHWJONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-2-12(13-6-4-10-16-13)14-8-7-11-5-3-9-15-11/h4,6,10-12,14H,2-3,5,7-9H2,1H3.
What are the key properties of N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine?
N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 239.38 g/mol, XLogP of 3.36, 6 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-ylpropan-1-amine is sourced from PubChem (CID 61038856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).