5-(2-ethylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine

C10H21N3S — CID 116505151

IUPAC5-(2-ethylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine
SMILESCCCN1C(N)=NCC1CCSCC
InChIInChI=1S/C10H21N3S/c1-3-6-13-9(5-7-14-4-2)8-12-10(13)11/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyVJKWDNHGLTVOCS-UHFFFAOYSA-N
MW215.37 g/mol
LogP1.54
Rot. Bonds6

About 5-(2-ethylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine

5-(2-ethylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine (PubChem CID 116505151) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is 5-(2-ethylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(2-ethylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine
PubChem CID116505151
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC Name5-(2-ethylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine
SMILESCCCN1C(N)=NCC1CCSCC
InChIInChI=1S/C10H21N3S/c1-3-6-13-9(5-7-14-4-2)8-12-10(13)11/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyVJKWDNHGLTVOCS-UHFFFAOYSA-N
XLogP1.54
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(2-ethylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine (CID 116505151) is 5-(2-ethylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(2-ethylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(2-ethylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine is CCCN1C(N)=NCC1CCSCC.
What is the InChIKey of 5-(2-ethylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine?
The InChIKey is VJKWDNHGLTVOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c1-3-6-13-9(5-7-14-4-2)8-12-10(13)11/h9H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of 5-(2-ethylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine?
5-(2-ethylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine has a molecular weight of 215.37 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylsulfanylethyl)-1-propyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 116505151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).