3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine

C14H23NOS — CID 65166768

IUPAC3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1ccsc1
InChIInChI=1S/C14H23NOS/c1-2-8-15-14(12-7-10-17-11-12)6-5-13-4-3-9-16-13/h7,10-11,13-15H,2-6,8-9H2,1H3
InChIKeyYOTKOTNVYYFYEO-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.75
Rot. Bonds7

About 3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine

3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine (PubChem CID 65166768) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
PubChem CID65166768
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1ccsc1
InChIInChI=1S/C14H23NOS/c1-2-8-15-14(12-7-10-17-11-12)6-5-13-4-3-9-16-13/h7,10-11,13-15H,2-6,8-9H2,1H3
InChIKeyYOTKOTNVYYFYEO-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 104988530
1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156280
1-(5-bromothiophen-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105156974
3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine
CID 65156384
1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993774
1-(3-bromo-4-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993778
N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62089839
1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105018462
1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020
1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156495
1-(furan-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156343
3-(oxolan-2-yl)-N-propyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 105156903

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine?
The IUPAC name of 3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine (CID 65166768) is 3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine is CCCNC(CCC1CCCO1)c1ccsc1.
What is the InChIKey of 3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine?
The InChIKey is YOTKOTNVYYFYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-2-8-15-14(12-7-10-17-11-12)6-5-13-4-3-9-16-13/h7,10-11,13-15H,2-6,8-9H2,1H3.
What are the key properties of 3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine?
3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 65166768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).