(1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine

C14H21N3S — CID 104942416

IUPAC(1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1C(C)c1cc(C)sc1C
InChIInChI=1S/C14H21N3S/c1-5-13(15)14-7-16-8-17(14)10(3)12-6-9(2)18-11(12)4/h6-8,10,13H,5,15H2,1-4H3/t10?,13-/m1/s1
InChIKeySHOKCFRBXBRFAZ-JLOHTSLTSA-N
MW263.41 g/mol
LogP3.58
Rot. Bonds4

About (1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine

(1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine (PubChem CID 104942416) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is (1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine
PubChem CID104942416
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name(1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1C(C)c1cc(C)sc1C
InChIInChI=1S/C14H21N3S/c1-5-13(15)14-7-16-8-17(14)10(3)12-6-9(2)18-11(12)4/h6-8,10,13H,5,15H2,1-4H3/t10?,13-/m1/s1
InChIKeySHOKCFRBXBRFAZ-JLOHTSLTSA-N
XLogP3.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine (CID 104942416) is (1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1C(C)c1cc(C)sc1C.
What is the InChIKey of (1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine?
The InChIKey is SHOKCFRBXBRFAZ-JLOHTSLTSA-N. The full InChI is InChI=1S/C14H21N3S/c1-5-13(15)14-7-16-8-17(14)10(3)12-6-9(2)18-11(12)4/h6-8,10,13H,5,15H2,1-4H3/t10?,13-/m1/s1.
What are the key properties of (1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine?
(1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 104942416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).