1-(2-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-amine

C12H19NOS — CID 115861130

IUPAC1-(2-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCC1OCCC1C(N)CCc1cccs1
InChIInChI=1S/C12H19NOS/c1-9-11(6-7-14-9)12(13)5-4-10-3-2-8-15-10/h2-3,8-9,11-12H,4-7,13H2,1H3
InChIKeyYVNXCRUKTAMYJT-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.43
Rot. Bonds4

About 1-(2-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-amine

1-(2-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 115861130) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(2-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-amine
PubChem CID115861130
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(2-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCC1OCCC1C(N)CCc1cccs1
InChIInChI=1S/C12H19NOS/c1-9-11(6-7-14-9)12(13)5-4-10-3-2-8-15-10/h2-3,8-9,11-12H,4-7,13H2,1H3
InChIKeyYVNXCRUKTAMYJT-UHFFFAOYSA-N
XLogP2.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylcyclopropyl)-3-thiophen-2-ylpropan-1-amine
CID 65422765
(2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine
CID 97358153
N-methyl-1-(2-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine
CID 79758920
1-(3-ethylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 65414532
1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-amine
CID 63774614
1-(2-methyloxolan-3-yl)pent-4-yn-1-amine
CID 115859572
1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine
CID 105147200
1-(2-methylcyclopropyl)-2-thiophen-2-ylethanamine
CID 61078130
2-methyl-3-(thiophen-2-ylmethylsulfanyl)oxolane
CID 127000169
N-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 79759544
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 79969930
(1-cyclopropyl-1-ethoxy-4-thiophen-2-ylbutan-2-yl)hydrazine
CID 105273036

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(2-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-amine (CID 115861130) is 1-(2-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(2-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-amine is CC1OCCC1C(N)CCc1cccs1.
What is the InChIKey of 1-(2-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is YVNXCRUKTAMYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-9-11(6-7-14-9)12(13)5-4-10-3-2-8-15-10/h2-3,8-9,11-12H,4-7,13H2,1H3.
What are the key properties of 1-(2-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-amine?
1-(2-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115861130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).