1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine

C16H27NOS — CID 104993486

IUPAC1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1cc(C)c(C)s1
InChIInChI=1S/C16H27NOS/c1-4-9-17-15(8-7-14-6-5-10-18-14)16-11-12(2)13(3)19-16/h11,14-15,17H,4-10H2,1-3H3
InChIKeyFYNOOHNHLRIURF-UHFFFAOYSA-N
MW281.46 g/mol
LogP4.36
Rot. Bonds7

About 1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine

1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (PubChem CID 104993486) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
PubChem CID104993486
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1cc(C)c(C)s1
InChIInChI=1S/C16H27NOS/c1-4-9-17-15(8-7-14-6-5-10-18-14)16-11-12(2)13(3)19-16/h11,14-15,17H,4-10H2,1-3H3
InChIKeyFYNOOHNHLRIURF-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993589
1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156280
1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156495
1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993774
1-(5-bromothiophen-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105156974
1-(3,6-dimethylpyridazin-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105156981
1-(3-bromo-4-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993778
4-(oxolan-2-yl)-N-propyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 104993082
1-(1,3-dimethylpyrazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 102803914
3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 65166768
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 1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (CID 104993486) is 1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is CCCNC(CCC1CCCO1)c1cc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The InChIKey is FYNOOHNHLRIURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-4-9-17-15(8-7-14-6-5-10-18-14)16-11-12(2)13(3)19-16/h11,14-15,17H,4-10H2,1-3H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine has a molecular weight of 281.46 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 104993486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).