1-(1,4-dioxan-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine

C14H23NO2S — CID 65352947

IUPAC1-(1,4-dioxan-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)C1COCCO1
InChIInChI=1S/C14H23NO2S/c1-2-7-15-13(14-11-16-8-9-17-14)6-5-12-4-3-10-18-12/h3-4,10,13-15H,2,5-9,11H2,1H3
InChIKeyZQPVKPRISZTZAC-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.46
Rot. Bonds7

About 1-(1,4-dioxan-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine

1-(1,4-dioxan-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 65352947) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
PubChem CID65352947
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-(1,4-dioxan-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)C1COCCO1
InChIInChI=1S/C14H23NO2S/c1-2-7-15-13(14-11-16-8-9-17-14)6-5-12-4-3-10-18-12/h3-4,10,13-15H,2,5-9,11H2,1H3
InChIKeyZQPVKPRISZTZAC-UHFFFAOYSA-N
XLogP2.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dioxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 65352692
N-propyl-1-(4-propylmorpholin-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 79664239
N-[2-(3-bromothiophen-2-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352896
1-(1,4-dioxan-2-yl)-N-propylundecan-1-amine
CID 65352894
1-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 115706486
N-[2-(5-bromothiophen-2-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352843
N-[1-(4-propan-2-ylmorpholin-2-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 79664970
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 105150379
N-propyl-1-thiophen-2-yldecan-3-amine
CID 115860884
N-[1-(1,4-dioxan-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 115824336
1,1-dimethoxy-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 79493483
N-[2-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65353005

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine (CID 65352947) is 1-(1,4-dioxan-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine is CCCNC(CCc1cccs1)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is ZQPVKPRISZTZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-2-7-15-13(14-11-16-8-9-17-14)6-5-12-4-3-10-18-12/h3-4,10,13-15H,2,5-9,11H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
1-(1,4-dioxan-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 65352947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).