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

C15H25NOS — CID 104988530

IUPAC3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCC1CCCCO1)c1ccsc1
InChIInChI=1S/C15H25NOS/c1-2-9-16-15(13-8-11-18-12-13)7-6-14-5-3-4-10-17-14/h8,11-12,14-16H,2-7,9-10H2,1H3
InChIKeyZYJLZCIMLMORGH-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.14
Rot. Bonds7

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

3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine (PubChem CID 104988530) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
PubChem CID104988530
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCC1CCCCO1)c1ccsc1
InChIInChI=1S/C15H25NOS/c1-2-9-16-15(13-8-11-18-12-13)7-6-14-5-3-4-10-17-14/h8,11-12,14-16H,2-7,9-10H2,1H3
InChIKeyZYJLZCIMLMORGH-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 65166768
1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine
CID 115857206
1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 115812068
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-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 63952139
1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine?
The IUPAC name of 3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine (CID 104988530) is 3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine is CCCNC(CCC1CCCCO1)c1ccsc1.
What is the InChIKey of 3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine?
The InChIKey is ZYJLZCIMLMORGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-2-9-16-15(13-8-11-18-12-13)7-6-14-5-3-4-10-17-14/h8,11-12,14-16H,2-7,9-10H2,1H3.
What are the key properties of 3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine?
3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 104988530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).