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

C9H19N3S — CID 116505150

IUPAC1-ethyl-5-(2-ethylsulfanylethyl)-4,5-dihydroimidazol-2-amine
SMILESCCSCCC1CN=C(N)N1CC
InChIInChI=1S/C9H19N3S/c1-3-12-8(5-6-13-4-2)7-11-9(12)10/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyAYVSKKJCSRHZGY-UHFFFAOYSA-N
MW201.34 g/mol
LogP1.15
Rot. Bonds5

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

1-ethyl-5-(2-ethylsulfanylethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 116505150) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is 1-ethyl-5-(2-ethylsulfanylethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-5-(2-ethylsulfanylethyl)-4,5-dihydroimidazol-2-amine
PubChem CID116505150
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Name1-ethyl-5-(2-ethylsulfanylethyl)-4,5-dihydroimidazol-2-amine
SMILESCCSCCC1CN=C(N)N1CC
InChIInChI=1S/C9H19N3S/c1-3-12-8(5-6-13-4-2)7-11-9(12)10/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyAYVSKKJCSRHZGY-UHFFFAOYSA-N
XLogP1.15
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 51.15
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 1-ethyl-5-(2-ethylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-ethyl-5-(2-ethylsulfanylethyl)-4,5-dihydroimidazol-2-amine (CID 116505150) is 1-ethyl-5-(2-ethylsulfanylethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-ethyl-5-(2-ethylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-ethyl-5-(2-ethylsulfanylethyl)-4,5-dihydroimidazol-2-amine is CCSCCC1CN=C(N)N1CC.
What is the InChIKey of 1-ethyl-5-(2-ethylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is AYVSKKJCSRHZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-3-12-8(5-6-13-4-2)7-11-9(12)10/h8H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of 1-ethyl-5-(2-ethylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
1-ethyl-5-(2-ethylsulfanylethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 201.34 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(2-ethylsulfanylethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 116505150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).