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

C15H25NS — CID 83154785

IUPAC2-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(c1cc(C)sc1C)C(C)C1CC1
InChIInChI=1S/C15H25NS/c1-5-8-16-15(11(3)13-6-7-13)14-9-10(2)17-12(14)4/h9,11,13,15-16H,5-8H2,1-4H3
InChIKeyXSTSSBMZLFKOGH-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.45
Rot. Bonds6

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

2-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-propylpropan-1-amine (PubChem CID 83154785) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-propylpropan-1-amine
PubChem CID83154785
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name2-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(c1cc(C)sc1C)C(C)C1CC1
InChIInChI=1S/C15H25NS/c1-5-8-16-15(11(3)13-6-7-13)14-9-10(2)17-12(14)4/h9,11,13,15-16H,5-8H2,1-4H3
InChIKeyXSTSSBMZLFKOGH-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-propylpropan-1-amine with MolForge

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Related Compounds

2-cyclopropyl-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 83154582
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455
1-(2,5-dimethylthiophen-3-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496846
2-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
CID 102758696
N-[(2,2-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine
CID 107177546
N-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 63010878
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83155187
1-cyclopropyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 64919929
2-cyclopropyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 83155270
1-(2,5-dimethylthiophen-3-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
CID 43496834
1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83155271
1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83149935

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-propylpropan-1-amine (CID 83154785) is 2-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-propylpropan-1-amine is CCCNC(c1cc(C)sc1C)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-propylpropan-1-amine?
The InChIKey is XSTSSBMZLFKOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-5-8-16-15(11(3)13-6-7-13)14-9-10(2)17-12(14)4/h9,11,13,15-16H,5-8H2,1-4H3.
What are the key properties of 2-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-propylpropan-1-amine?
2-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-propylpropan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 83154785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).