1-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)propan-1-amine

C13H21NOS — CID 115706486

IUPAC1-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)propan-1-amine
SMILESCCC(NCCc1cccs1)C1CCOC1
InChIInChI=1S/C13H21NOS/c1-2-13(11-6-8-15-10-11)14-7-5-12-4-3-9-16-12/h3-4,9,11,13-14H,2,5-8,10H2,1H3
InChIKeyCHEHITDGIKPEKF-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.70
Rot. Bonds6

About 1-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)propan-1-amine

1-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)propan-1-amine (PubChem CID 115706486) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)propan-1-amine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)propan-1-amine
PubChem CID115706486
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)propan-1-amine
SMILESCCC(NCCc1cccs1)C1CCOC1
InChIInChI=1S/C13H21NOS/c1-2-13(11-6-8-15-10-11)14-7-5-12-4-3-9-16-12/h3-4,9,11,13-14H,2,5-8,10H2,1H3
InChIKeyCHEHITDGIKPEKF-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 55234964
N-[1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethyl]propan-1-amine
CID 113449399
N-[1-(oxolan-3-yl)propyl]pentan-1-amine
CID 115705770
1-(1,4-dioxan-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 65352947
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea
CID 55590618
1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105138604
1-cyclobutyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 115706476
N-[1-(oxolan-3-yl)propyl]aniline
CID 115729358
(1R)-1-cyclopentyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81395803
N-(2-ethoxyethyl)-1-(oxolan-3-yl)propan-1-amine
CID 115709966
N-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine
CID 113243463
N-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine
CID 105138838

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)propan-1-amine?
The IUPAC name of 1-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)propan-1-amine (CID 115706486) is 1-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)propan-1-amine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)propan-1-amine?
The canonical SMILES for 1-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)propan-1-amine is CCC(NCCc1cccs1)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)propan-1-amine?
The InChIKey is CHEHITDGIKPEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-2-13(11-6-8-15-10-11)14-7-5-12-4-3-9-16-12/h3-4,9,11,13-14H,2,5-8,10H2,1H3.
What are the key properties of 1-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)propan-1-amine?
1-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)propan-1-amine has a molecular weight of 239.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)propan-1-amine is sourced from PubChem (CID 115706486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).