N-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine

C15H25NOS — CID 63774465

IUPACN-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CCc2cccs2)CCCOC1
InChIInChI=1S/C15H25NOS/c1-2-9-16-12-15(7-4-10-17-13-15)8-6-14-5-3-11-18-14/h3,5,11,16H,2,4,6-10,12-13H2,1H3
InChIKeyGXKGDTYFBLVALF-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.48
Rot. Bonds7

About N-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine

N-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine (PubChem CID 63774465) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine
PubChem CID63774465
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CCc2cccs2)CCCOC1
InChIInChI=1S/C15H25NOS/c1-2-9-16-12-15(7-4-10-17-13-15)8-6-14-5-3-11-18-14/h3,5,11,16H,2,4,6-10,12-13H2,1H3
InChIKeyGXKGDTYFBLVALF-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-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

N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 62724982
2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine
CID 66026043
N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine
CID 115694272
N-[[3-[[benzyl(methyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63741702
N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine
CID 63774106
N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]-1-thiophen-2-ylpropan-2-amine
CID 79489631
2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine
CID 62725406
3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane
CID 66048547
2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine
CID 62905761
2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 63740652
N-methyl-N-[[3-(propylaminomethyl)oxan-3-yl]methyl]cyclopropanamine
CID 63741709
N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine
CID 63010486

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine (CID 63774465) is N-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine is CCCNCC1(CCc2cccs2)CCCOC1.
What is the InChIKey of N-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine?
The InChIKey is GXKGDTYFBLVALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-2-9-16-12-15(7-4-10-17-13-15)8-6-14-5-3-11-18-14/h3,5,11,16H,2,4,6-10,12-13H2,1H3.
What are the key properties of N-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine?
N-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 63774465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).