1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine

C16H23NS2 — CID 115860668

IUPAC1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)c1cc(C)c(C)s1
InChIInChI=1S/C16H23NS2/c1-4-9-17-15(8-7-14-6-5-10-18-14)16-11-12(2)13(3)19-16/h5-6,10-11,15,17H,4,7-9H2,1-3H3
InChIKeySZZFYIVIRHEFSK-UHFFFAOYSA-N
MW293.50 g/mol
LogP5.10
Rot. Bonds7

About 1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine

1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 115860668) has the molecular formula C16H23NS2 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
PubChem CID115860668
Molecular FormulaC16H23NS2
Molecular Weight293.50 g/mol
Exact Mass293.13
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)c1cc(C)c(C)s1
InChIInChI=1S/C16H23NS2/c1-4-9-17-15(8-7-14-6-5-10-18-14)16-11-12(2)13(3)19-16/h5-6,10-11,15,17H,4,7-9H2,1-3H3
InChIKeySZZFYIVIRHEFSK-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860725
1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860699
1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 105145207
1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115861151
1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63774616
1-(6-methyl-2-pyridinyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63773530
1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63775444
1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860952
1-(4-chloro-2,5-difluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115861199
1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine
CID 105150378
1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860702
1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 115860977

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine (CID 115860668) is 1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine is CCCNC(CCc1cccs1)c1cc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is SZZFYIVIRHEFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS2/c1-4-9-17-15(8-7-14-6-5-10-18-14)16-11-12(2)13(3)19-16/h5-6,10-11,15,17H,4,7-9H2,1-3H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 5.10, 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)-N-propyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115860668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).